N-(2-chloro-4-phenylphenyl)prop-2-enamide

C15H12ClNO — CID 166408251

IUPACN-(2-chloro-4-phenylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H12ClNO/c1-2-15(18)17-14-9-8-12(10-13(14)16)11-6-4-3-5-7-11/h2-10H,1H2,(H,17,18)
InChIKeyFDYMNKUDAKMBMH-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.13
Rot. Bonds3

About N-(2-chloro-4-phenylphenyl)prop-2-enamide

N-(2-chloro-4-phenylphenyl)prop-2-enamide (PubChem CID 166408251) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(2-chloro-4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-4-phenylphenyl)prop-2-enamide
PubChem CID166408251
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC NameN-(2-chloro-4-phenylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H12ClNO/c1-2-15(18)17-14-9-8-12(10-13(14)16)11-6-4-3-5-7-11/h2-10H,1H2,(H,17,18)
InChIKeyFDYMNKUDAKMBMH-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-phenylphenyl)-2-cyano-3-oxobutanamide
CID 91896064
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide
CID 137321991
N-[2-amino-4-(4-amino-3-hydroxyphenyl)phenyl]prop-2-enamide;N-[2-amino-4-(4-aminophenyl)phenyl]prop-2-enamide
CID 70520996
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
2-chloro-4-phenylbenzoic acid
CID 21487426
N-[6-(4-amino-3-chlorophenyl)quinolin-4-yl]prop-2-enamide
CID 162526776
N-[3-[amino-(2-amino-4-phenylphenyl)methyl]phenyl]prop-2-enamide
CID 153372527
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
N-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 43616646
2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenylbenzoic acid
CID 69331362

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-phenylphenyl)prop-2-enamide?
The IUPAC name of N-(2-chloro-4-phenylphenyl)prop-2-enamide (CID 166408251) is N-(2-chloro-4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloro-4-phenylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-chloro-4-phenylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-chloro-4-phenylphenyl)prop-2-enamide?
The InChIKey is FDYMNKUDAKMBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-2-15(18)17-14-9-8-12(10-13(14)16)11-6-4-3-5-7-11/h2-10H,1H2,(H,17,18).
What are the key properties of N-(2-chloro-4-phenylphenyl)prop-2-enamide?
N-(2-chloro-4-phenylphenyl)prop-2-enamide has a molecular weight of 257.72 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 166408251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).