(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

C22H19ClN2O2 — CID 28867666

IUPAC(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESNc1cc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C22H19ClN2O2/c23-20-12-9-18(14-21(20)24)25-22(26)13-8-16-6-10-19(11-7-16)27-15-17-4-2-1-3-5-17/h1-14H,15,24H2,(H,25,26)/b13-8+
InChIKeyMGOSSQGRCFDTIQ-MDWZMJQESA-N
MW378.86 g/mol
LogP5.15
Rot. Bonds6

About (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 28867666) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID28867666
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESNc1cc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C22H19ClN2O2/c23-20-12-9-18(14-21(20)24)25-22(26)13-8-16-6-10-19(11-7-16)27-15-17-4-2-1-3-5-17/h1-14H,15,24H2,(H,25,26)/b13-8+
InChIKeyMGOSSQGRCFDTIQ-MDWZMJQESA-N
XLogP5.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
2-chloro-5-[[(E)-3-[4-(5-phenylpentoxy)phenyl]prop-2-enoyl]amino]benzoic acid
CID 10298471
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 60578500
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 51057674
(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 51058015
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 28867666) is (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is Nc1cc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)ccc1Cl.
What is the InChIKey of (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is MGOSSQGRCFDTIQ-MDWZMJQESA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-20-12-9-18(14-21(20)24)25-22(26)13-8-16-6-10-19(11-7-16)27-15-17-4-2-1-3-5-17/h1-14H,15,24H2,(H,25,26)/b13-8+.
What are the key properties of (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 378.86 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28867666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).