N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide

C16H12ClFN2O — CID 41485117

IUPACN-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H12ClFN2O/c17-14-9-13(18)6-7-15(14)20-16(21)8-5-11-1-3-12(10-19)4-2-11/h1-4,6-7,9H,5,8H2,(H,20,21)
InChIKeyKLSLKNUATUURPF-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.92
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide

N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide (PubChem CID 41485117) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
PubChem CID41485117
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H12ClFN2O/c17-14-9-13(18)6-7-15(14)20-16(21)8-5-11-1-3-12(10-19)4-2-11/h1-4,6-7,9H,5,8H2,(H,20,21)
InChIKeyKLSLKNUATUURPF-UHFFFAOYSA-N
XLogP3.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 41484942
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
CID 28843551
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide
CID 23296537
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
CID 39184050
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 7716976

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide (CID 41485117) is N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide is N#Cc1ccc(CCC(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide?
The InChIKey is KLSLKNUATUURPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-14-9-13(18)6-7-15(14)20-16(21)8-5-11-1-3-12(10-19)4-2-11/h1-4,6-7,9H,5,8H2,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide?
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide has a molecular weight of 302.74 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide is sourced from PubChem (CID 41485117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).