2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide

C22H27ClN2O2 — CID 132658494

IUPAC2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16(2)24-22(27)17(3)25(15-18-9-5-4-6-10-18)21(26)14-13-19-11-7-8-12-20(19)23/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)
InChIKeyUKOBOTIIVIWPBP-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.21
Rot. Bonds8

About 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide

2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132658494) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
PubChem CID132658494
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16(2)24-22(27)17(3)25(15-18-9-5-4-6-10-18)21(26)14-13-19-11-7-8-12-20(19)23/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)
InChIKeyUKOBOTIIVIWPBP-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132662442
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100690085
2-[benzyl-[2-(2-chlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132656010
(2R)-2-[benzyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647671
(2R)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516926
(2S)-N-[(2R)-butan-2-yl]-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574362
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132705664
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132664735
N-butan-2-yl-2-[3-(2-chlorophenyl)propanoyl-[(3-methylphenyl)methyl]amino]propanamide
CID 132708082
(2S)-2-[(3-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100522467

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide (CID 132658494) is 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is UKOBOTIIVIWPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16(2)24-22(27)17(3)25(15-18-9-5-4-6-10-18)21(26)14-13-19-11-7-8-12-20(19)23/h4-12,16-17H,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 386.92 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132658494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).