N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide

C15H15ClN2O — CID 110484084

IUPACN-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-13(3-2-4-14(10)16)15(19)18-9-11-5-7-12(17)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyDDZVBICGRGYULO-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.16
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide

N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide (PubChem CID 110484084) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
PubChem CID110484084
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-13(3-2-4-14(10)16)15(19)18-9-11-5-7-12(17)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyDDZVBICGRGYULO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[[4-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107233695
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107100164
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide (CID 110484084) is N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide?
The InChIKey is DDZVBICGRGYULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-13(3-2-4-14(10)16)15(19)18-9-11-5-7-12(17)8-6-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide?
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide 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 N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide is sourced from PubChem (CID 110484084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).