4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride

C19H23Cl2N3O2 — CID 119738309

IUPAC4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-4-19(2,3)23-18(25)15-9-8-14(11-16(15)20)22-17(24)12-6-5-7-13(21)10-12;/h5-11H,4,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyZNLBCJXDZFSWIQ-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.51
Rot. Bonds5

About 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride

4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride (PubChem CID 119738309) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
PubChem CID119738309
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-4-19(2,3)23-18(25)15-9-8-14(11-16(15)20)22-17(24)12-6-5-7-13(21)10-12;/h5-11H,4,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyZNLBCJXDZFSWIQ-UHFFFAOYSA-N
XLogP4.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.51
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-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 119950281
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539073
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
CID 119763292
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride (CID 119738309) is 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1Cl.Cl.
What is the InChIKey of 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride?
The InChIKey is ZNLBCJXDZFSWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c1-4-19(2,3)23-18(25)15-9-8-14(11-16(15)20)22-17(24)12-6-5-7-13(21)10-12;/h5-11H,4,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride?
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119738309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).