4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide

C22H27ClN2O2 — CID 8503860

IUPAC4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C22H27ClN2O2/c1-5-25(6-2)22(27)17-9-13-19(14-10-17)24-21(26)20(15(3)4)16-7-11-18(23)12-8-16/h7-15,20H,5-6H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKeyRWEZRCWSXDTUIL-HXUWFJFHSA-N
MW386.92 g/mol
LogP5.20
Rot. Bonds7

About 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide

4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide (PubChem CID 8503860) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
PubChem CID8503860
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1
InChIInChI=1S/C22H27ClN2O2/c1-5-25(6-2)22(27)17-9-13-19(14-10-17)24-21(26)20(15(3)4)16-7-11-18(23)12-8-16/h7-15,20H,5-6H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKeyRWEZRCWSXDTUIL-HXUWFJFHSA-N
XLogP5.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133427
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133428
4-[(4-chlorobenzoyl)carbamothioylamino]-N,N-diethylbenzamide
CID 17197077
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771
N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide
CID 10740078

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide (CID 8503860) is 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1.
What is the InChIKey of 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide?
The InChIKey is RWEZRCWSXDTUIL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-5-25(6-2)22(27)17-9-13-19(14-10-17)24-21(26)20(15(3)4)16-7-11-18(23)12-8-16/h7-15,20H,5-6H2,1-4H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide?
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide has a molecular weight of 386.92 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8503860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).