2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide

C19H22ClN3O2 — CID 119770119

IUPAC2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C19H22ClN3O2/c1-3-22-19(25)15-11-14(20)9-10-16(15)23-18(24)12(2)17(21)13-7-5-4-6-8-13/h4-12,17H,3,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyWXSAKJADKHCTGL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.36
Rot. Bonds6

About 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide (PubChem CID 119770119) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
PubChem CID119770119
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C19H22ClN3O2/c1-3-22-19(25)15-11-14(20)9-10-16(15)23-18(24)12(2)17(21)13-7-5-4-6-8-13/h4-12,17H,3,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyWXSAKJADKHCTGL-UHFFFAOYSA-N
XLogP3.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
CID 119752196
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoic acid
CID 61158389
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
5-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61478844

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide?
The IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide (CID 119770119) is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide?
The canonical SMILES for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide is CCNC(=O)c1cc(Cl)ccc1NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide?
The InChIKey is WXSAKJADKHCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-22-19(25)15-11-14(20)9-10-16(15)23-18(24)12(2)17(21)13-7-5-4-6-8-13/h4-12,17H,3,21H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide?
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide is sourced from PubChem (CID 119770119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).