4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide

C13H19ClN2O — CID 113457632

IUPAC4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C13H19ClN2O/c1-8(13(2,3)4)16-12(17)9-5-6-11(15)10(14)7-9/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyAWYFDNSBQALFMB-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds2

About 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide

4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide (PubChem CID 113457632) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
PubChem CID113457632
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C13H19ClN2O/c1-8(13(2,3)4)16-12(17)9-5-6-11(15)10(14)7-9/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyAWYFDNSBQALFMB-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide 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

3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64642824
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
methyl (2S)-3-amino-2-[(4-amino-3-chlorobenzoyl)amino]propanoate
CID 68641791
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide (CID 113457632) is 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide is CC(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C.
What is the InChIKey of 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide?
The InChIKey is AWYFDNSBQALFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(13(2,3)4)16-12(17)9-5-6-11(15)10(14)7-9/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide?
4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide has a molecular weight of 254.76 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide is sourced from PubChem (CID 113457632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).