(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone

C32H37FN2O2 — CID 158013126

IUPAC(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone
SMILESCc1ccc2c(c1)/C(=C/C(=O)NC1CC1)CCC2.O=C(/C=C1\CCCc2ccc(F)cc21)N1CCCC1
InChIInChI=1S/C16H18FNO.C16H19NO/c17-14-7-6-12-4-3-5-13(15(12)11-14)10-16(19)18-8-1-2-9-18;1-11-5-6-12-3-2-4-13(15(12)9-11)10-16(18)17-14-7-8-14/h6-7,10-11H,1-5,8-9H2;5-6,9-10,14H,2-4,7-8H2,1H3,(H,17,18)/b2*13-10+
InChIKeyFFDHCYFLLBVLSD-GJQXIAOISA-N
MW500.66 g/mol
LogP6.16
Rot. Bonds3

About (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone

(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone (PubChem CID 158013126) has the molecular formula C32H37FN2O2 and a molecular weight of 500.66 g/mol. Its IUPAC name is (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone
PubChem CID158013126
Molecular FormulaC32H37FN2O2
Molecular Weight500.66 g/mol
Exact Mass500.28
IUPAC Name(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone
SMILESCc1ccc2c(c1)/C(=C/C(=O)NC1CC1)CCC2.O=C(/C=C1\CCCc2ccc(F)cc21)N1CCCC1
InChIInChI=1S/C16H18FNO.C16H19NO/c17-14-7-6-12-4-3-5-13(15(12)11-14)10-16(19)18-8-1-2-9-18;1-11-5-6-12-3-2-4-13(15(12)9-11)10-16(18)17-14-7-8-14/h6-7,10-11H,1-5,8-9H2;5-6,9-10,14H,2-4,7-8H2,1H3,(H,17,18)/b2*13-10+
InChIKeyFFDHCYFLLBVLSD-GJQXIAOISA-N
XLogP6.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-cyclopropyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
CID 23293620
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
CID 54411867
(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
CID 19698804
(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 19698778
(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11747017
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 43312932
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224

Frequently Asked Questions

What is the IUPAC name of (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone (CID 158013126) is (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone is Cc1ccc2c(c1)/C(=C/C(=O)NC1CC1)CCC2.O=C(/C=C1\CCCc2ccc(F)cc21)N1CCCC1.
What is the InChIKey of (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone?
The InChIKey is FFDHCYFLLBVLSD-GJQXIAOISA-N. The full InChI is InChI=1S/C16H18FNO.C16H19NO/c17-14-7-6-12-4-3-5-13(15(12)11-14)10-16(19)18-8-1-2-9-18;1-11-5-6-12-3-2-4-13(15(12)9-11)10-16(18)17-14-7-8-14/h6-7,10-11H,1-5,8-9H2;5-6,9-10,14H,2-4,7-8H2,1H3,(H,17,18)/b2*13-10+.
What are the key properties of (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone?
(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone has a molecular weight of 500.66 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 158013126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).