4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride

C19H23Cl2N3O3 — CID 119703658

IUPAC4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-11(2)8-18(24)22-12-4-6-13(7-5-12)23-19(25)14-9-15(20)16(21)10-17(14)26-3;/h4-7,9-11H,8,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyRHCGIJJAHOHPDW-UHFFFAOYSA-N
MW412.32 g/mol
LogP4.59
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride (PubChem CID 119703658) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
PubChem CID119703658
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-11(2)8-18(24)22-12-4-6-13(7-5-12)23-19(25)14-9-15(20)16(21)10-17(14)26-3;/h4-7,9-11H,8,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyRHCGIJJAHOHPDW-UHFFFAOYSA-N
XLogP4.59
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
methyl 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]phenoxy]butanoate;hydrochloride
CID 119784217
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
CID 119714813
4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119730378
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
CID 119722083
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570506
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride (CID 119703658) is 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride?
The InChIKey is RHCGIJJAHOHPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3.ClH/c1-11(2)8-18(24)22-12-4-6-13(7-5-12)23-19(25)14-9-15(20)16(21)10-17(14)26-3;/h4-7,9-11H,8,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 4.59, 6 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-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119703658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).