N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide

C18H21ClN2O — CID 91687297

IUPACN-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-11-9-15(20)16(10-14(11)19)21-17(22)12-5-7-13(8-6-12)18(2,3)4/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyLPBGZUJWLKFVDH-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.78
Rot. Bonds2

About N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide

N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide (PubChem CID 91687297) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
PubChem CID91687297
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-11-9-15(20)16(10-14(11)19)21-17(22)12-5-7-13(8-6-12)18(2,3)4/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyLPBGZUJWLKFVDH-UHFFFAOYSA-N
XLogP4.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide 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

N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
CID 91687685
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide (CID 91687297) is N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide is Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl.
What is the InChIKey of N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide?
The InChIKey is LPBGZUJWLKFVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-11-9-15(20)16(10-14(11)19)21-17(22)12-5-7-13(8-6-12)18(2,3)4/h5-10H,20H2,1-4H3,(H,21,22).
What are the key properties of N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide?
N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide has a molecular weight of 316.83 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 91687297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).