N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide

C19H21ClN2O2 — CID 41490453

IUPACN-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-17(15-8-10-16(20)11-9-15)22-19(24)13-21-18(23)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyBOAYKQUWJIYCQI-KRWDZBQOSA-N
MW344.84 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 41490453) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID41490453
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-17(15-8-10-16(20)11-9-15)22-19(24)13-21-18(23)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyBOAYKQUWJIYCQI-KRWDZBQOSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
(2S,3S)-2-[[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100106

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 41490453) is N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide is CC[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is BOAYKQUWJIYCQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-17(15-8-10-16(20)11-9-15)22-19(24)13-21-18(23)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 344.84 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 41490453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).