benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide

C29H31ClN2O2 — CID 158954250

IUPACbenzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
SMILESC.Cc1ccc(Cl)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.NC(=O)c1ccccc1
InChIInChI=1S/C14H13NO.C7H7Cl.C7H7NO.CH4/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12;1-6-2-4-7(8)5-3-6;8-7(9)6-4-2-1-3-5-6;/h2-10H,1H3,(H,15,16);2-5H,1H3;1-5H,(H2,8,9);1H4
InChIKeyJLUSKCCIVKDMLJ-UHFFFAOYSA-N
MW475.03 g/mol
LogP7.32
Rot. Bonds3

About benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide

benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide (PubChem CID 158954250) has the molecular formula C29H31ClN2O2 and a molecular weight of 475.03 g/mol. Its IUPAC name is benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Namebenzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
PubChem CID158954250
Molecular FormulaC29H31ClN2O2
Molecular Weight475.03 g/mol
Exact Mass474.21
IUPAC Namebenzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
SMILESC.Cc1ccc(Cl)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.NC(=O)c1ccccc1
InChIInChI=1S/C14H13NO.C7H7Cl.C7H7NO.CH4/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12;1-6-2-4-7(8)5-3-6;8-7(9)6-4-2-1-3-5-6;/h2-10H,1H3,(H,15,16);2-5H,1H3;1-5H,(H2,8,9);1H4
InChIKeyJLUSKCCIVKDMLJ-UHFFFAOYSA-N
XLogP7.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.03
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126177869
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705

Frequently Asked Questions

What is the IUPAC name of benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide?
The IUPAC name of benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide (CID 158954250) is benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide.
What is the SMILES notation for benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide?
The canonical SMILES for benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide is C.Cc1ccc(Cl)cc1.Cc1ccc(NC(=O)c2ccccc2)cc1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide?
The InChIKey is JLUSKCCIVKDMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C7H7Cl.C7H7NO.CH4/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12;1-6-2-4-7(8)5-3-6;8-7(9)6-4-2-1-3-5-6;/h2-10H,1H3,(H,15,16);2-5H,1H3;1-5H,(H2,8,9);1H4.
What are the key properties of benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide?
benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide has a molecular weight of 475.03 g/mol, XLogP of 7.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide is sourced from PubChem (CID 158954250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).