(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide

C19H18ClNO2 — CID 108757471

IUPAC(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
SMILESCc1ccc2c(c1)C(NC(=O)/C=C/c1ccccc1Cl)CCO2
InChIInChI=1S/C19H18ClNO2/c1-13-6-8-18-15(12-13)17(10-11-23-18)21-19(22)9-7-14-4-2-3-5-16(14)20/h2-9,12,17H,10-11H2,1H3,(H,21,22)/b9-7+
InChIKeySXTRRAPMMRCKSR-VQHVLOKHSA-N
MW327.81 g/mol
LogP4.30
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide (PubChem CID 108757471) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
PubChem CID108757471
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
SMILESCc1ccc2c(c1)C(NC(=O)/C=C/c1ccccc1Cl)CCO2
InChIInChI=1S/C19H18ClNO2/c1-13-6-8-18-15(12-13)17(10-11-23-18)21-19(22)9-7-14-4-2-3-5-16(14)20/h2-9,12,17H,10-11H2,1H3,(H,21,22)/b9-7+
InChIKeySXTRRAPMMRCKSR-VQHVLOKHSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.30
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

(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757177
(E)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108764745
(E)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108757483
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46813693
(E)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 895562

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide (CID 108757471) is (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide is Cc1ccc2c(c1)C(NC(=O)/C=C/c1ccccc1Cl)CCO2.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
The InChIKey is SXTRRAPMMRCKSR-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-13-6-8-18-15(12-13)17(10-11-23-18)21-19(22)9-7-14-4-2-3-5-16(14)20/h2-9,12,17H,10-11H2,1H3,(H,21,22)/b9-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide has a molecular weight of 327.81 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide is sourced from PubChem (CID 108757471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).