N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide

C23H25Cl2NO — CID 143249938

IUPACN-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide
SMILESC=C(CC)C1(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C23H25Cl2NO/c1-3-16(2)23(13-7-8-14-23)21(17-9-5-4-6-10-17)26-22(27)19-12-11-18(24)15-20(19)25/h4-6,9-12,15,21H,2-3,7-8,13-14H2,1H3,(H,26,27)
InChIKeyWMBPKVSBDUKKLY-UHFFFAOYSA-N
MW402.37 g/mol
LogP6.99
Rot. Bonds6

About N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide

N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide (PubChem CID 143249938) has the molecular formula C23H25Cl2NO and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide
PubChem CID143249938
Molecular FormulaC23H25Cl2NO
Molecular Weight402.37 g/mol
Exact Mass401.13
IUPAC NameN-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide
SMILESC=C(CC)C1(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C23H25Cl2NO/c1-3-16(2)23(13-7-8-14-23)21(17-9-5-4-6-10-17)26-22(27)19-12-11-18(24)15-20(19)25/h4-6,9-12,15,21H,2-3,7-8,13-14H2,1H3,(H,26,27)
InChIKeyWMBPKVSBDUKKLY-UHFFFAOYSA-N
XLogP6.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide 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

2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide
CID 70269882
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide
CID 70272697
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide
CID 143369039
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570

Frequently Asked Questions

What is the IUPAC name of N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide (CID 143249938) is N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide is C=C(CC)C1(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CCCC1.
What is the InChIKey of N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide?
The InChIKey is WMBPKVSBDUKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO/c1-3-16(2)23(13-7-8-14-23)21(17-9-5-4-6-10-17)26-22(27)19-12-11-18(24)15-20(19)25/h4-6,9-12,15,21H,2-3,7-8,13-14H2,1H3,(H,26,27).
What are the key properties of N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide?
N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide has a molecular weight of 402.37 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 143249938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).