N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C24H26FNO2 — CID 31443449

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H26FNO2/c25-22-8-4-3-7-20(22)16-26(21-11-12-21)24(28)14-13-23(27)19-10-9-17-5-1-2-6-18(17)15-19/h3-4,7-10,15,21H,1-2,5-6,11-14,16H2
InChIKeyAIYWAWHWBNFLQM-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.86
Rot. Bonds7

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 31443449) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID31443449
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H26FNO2/c25-22-8-4-3-7-20(22)16-26(21-11-12-21)24(28)14-13-23(27)19-10-9-17-5-1-2-6-18(17)15-19/h3-4,7-10,15,21H,1-2,5-6,11-14,16H2
InChIKeyAIYWAWHWBNFLQM-UHFFFAOYSA-N
XLogP4.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 18114997
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
N-[(5-bromo-2-fluorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 55580795
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 31443449) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is O=C(CCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is AIYWAWHWBNFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c25-22-8-4-3-7-20(22)16-26(21-11-12-21)24(28)14-13-23(27)19-10-9-17-5-1-2-6-18(17)15-19/h3-4,7-10,15,21H,1-2,5-6,11-14,16H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 379.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 31443449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).