N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide

C25H23ClN2O — CID 143264509

IUPACN-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide
SMILESCC(C)=C/C(=N\c1ccccc1C)c1cc(NC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C25H23ClN2O/c1-17(2)15-24(28-23-12-8-7-9-18(23)3)21-16-20(13-14-22(21)26)27-25(29)19-10-5-4-6-11-19/h4-16H,1-3H3,(H,27,29)/b28-24+
InChIKeyRBQUGIBERDZRQY-ZZIIXHQDSA-N
MW402.93 g/mol
LogP6.99
Rot. Bonds5

About N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide

N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide (PubChem CID 143264509) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide
PubChem CID143264509
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC NameN-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide
SMILESCC(C)=C/C(=N\c1ccccc1C)c1cc(NC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C25H23ClN2O/c1-17(2)15-24(28-23-12-8-7-9-18(23)3)21-16-20(13-14-22(21)26)27-25(29)19-10-5-4-6-11-19/h4-16H,1-3H3,(H,27,29)/b28-24+
InChIKeyRBQUGIBERDZRQY-ZZIIXHQDSA-N
XLogP6.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-chloro-3-[C-ethenyl-N-(2-methylphenyl)carbonimidoyl]phenyl]benzamide
CID 88542849
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
(4-benzamidophenyl)carbamic acid
CID 18543096
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 22778979
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
CID 1104044

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide?
The IUPAC name of N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide (CID 143264509) is N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide?
The canonical SMILES for N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide is CC(C)=C/C(=N\c1ccccc1C)c1cc(NC(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide?
The InChIKey is RBQUGIBERDZRQY-ZZIIXHQDSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-17(2)15-24(28-23-12-8-7-9-18(23)3)21-16-20(13-14-22(21)26)27-25(29)19-10-5-4-6-11-19/h4-16H,1-3H3,(H,27,29)/b28-24+.
What are the key properties of N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide?
N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide has a molecular weight of 402.93 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[N-(2-methylphenyl)-C-(2-methylprop-1-enyl)carbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 143264509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).