N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide

C19H22ClN3O2 — CID 120569045

IUPACN-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
SMILESCc1ccc(N)cc1NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-11(2)8-18(24)22-14-6-7-16(20)15(10-14)19(25)23-17-9-13(21)5-4-12(17)3/h4-7,9-11H,8,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRNAMPPKQLDAMLW-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.47
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide

N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide (PubChem CID 120569045) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
PubChem CID120569045
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
SMILESCc1ccc(N)cc1NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-11(2)8-18(24)22-14-6-7-16(20)15(10-14)19(25)23-17-9-13(21)5-4-12(17)3/h4-7,9-11H,8,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRNAMPPKQLDAMLW-UHFFFAOYSA-N
XLogP4.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]-2-methylbenzoic acid
CID 119240331
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
2-[3-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]phenyl]acetic acid
CID 119351920
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide (CID 120569045) is N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide is Cc1ccc(N)cc1NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide?
The InChIKey is RNAMPPKQLDAMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-11(2)8-18(24)22-14-6-7-16(20)15(10-14)19(25)23-17-9-13(21)5-4-12(17)3/h4-7,9-11H,8,21H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide?
N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide has a molecular weight of 359.86 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 120569045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).