3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide

C15H15ClN2O — CID 16790226

IUPAC3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-7-13(16)14(17)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyYLKQSQVIAKQNFN-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.16
Rot. Bonds3

About 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide

3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 16790226) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
PubChem CID16790226
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-7-13(16)14(17)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyYLKQSQVIAKQNFN-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
3-amino-4-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179688
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide (CID 16790226) is 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is YLKQSQVIAKQNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-7-13(16)14(17)8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide?
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 16790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).