4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide

C19H22ClN3O3 — CID 119780348

IUPAC4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1
InChIInChI=1S/C19H22ClN3O3/c1-10(2)22-18(24)13-7-12(6-5-11(13)3)23-19(25)14-8-15(20)16(21)9-17(14)26-4/h5-10H,21H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBRCCRGMHHMECQV-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.63
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide

4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 119780348) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID119780348
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1
InChIInChI=1S/C19H22ClN3O3/c1-10(2)22-18(24)13-7-12(6-5-11(13)3)23-19(25)14-8-15(20)16(21)9-17(14)26-4/h5-10H,21H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBRCCRGMHHMECQV-UHFFFAOYSA-N
XLogP3.63
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]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-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119730378
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
CID 119714813
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
CID 119722083
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
CID 110465014

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 119780348) is 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is BRCCRGMHHMECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-10(2)22-18(24)13-7-12(6-5-11(13)3)23-19(25)14-8-15(20)16(21)9-17(14)26-4/h5-10H,21H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 375.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 119780348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).