4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide

C14H21ClN2O2 — CID 119744569

IUPAC4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H21ClN2O2/c1-5-8(2)9(3)17-14(18)10-6-11(15)12(16)7-13(10)19-4/h6-9H,5,16H2,1-4H3,(H,17,18)
InChIKeyYFKBZVVCCZFGEL-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.10
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide

4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide (PubChem CID 119744569) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
PubChem CID119744569
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H21ClN2O2/c1-5-8(2)9(3)17-14(18)10-6-11(15)12(16)7-13(10)19-4/h6-9H,5,16H2,1-4H3,(H,17,18)
InChIKeyYFKBZVVCCZFGEL-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-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

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767
4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 119742833
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide (CID 119744569) is 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is YFKBZVVCCZFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-8(2)9(3)17-14(18)10-6-11(15)12(16)7-13(10)19-4/h6-9H,5,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide?
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 284.79 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 119744569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).