4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride

C20H25Cl2N3O2 — CID 119747993

IUPAC4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-3-11-23-20(26)16-10-9-15(12-17(16)21)24-19(25)13(2)18(22)14-7-5-4-6-8-14;/h4-10,12-13,18H,3,11,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyCUOXXXSXZBERJH-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.18
Rot. Bonds7

About 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride (PubChem CID 119747993) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
PubChem CID119747993
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-3-11-23-20(26)16-10-9-15(12-17(16)21)24-19(25)13(2)18(22)14-7-5-4-6-8-14;/h4-10,12-13,18H,3,11,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyCUOXXXSXZBERJH-UHFFFAOYSA-N
XLogP4.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
CID 119770119
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119780262
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141
3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 60576616

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride (CID 119747993) is 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1Cl.Cl.
What is the InChIKey of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride?
The InChIKey is CUOXXXSXZBERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.ClH/c1-3-11-23-20(26)16-10-9-15(12-17(16)21)24-19(25)13(2)18(22)14-7-5-4-6-8-14;/h4-10,12-13,18H,3,11,22H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride?
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119747993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).