N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C22H21ClN2O2 — CID 9164665

IUPACN-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESC[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN2O2/c1-15(17-8-5-10-19(23)12-17)25-22(27)14-24-21(26)13-18-9-4-7-16-6-2-3-11-20(16)18/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyUFIKIPQSEMSDNX-HNNXBMFYSA-N
MW380.88 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9164665) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID9164665
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESC[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN2O2/c1-15(17-8-5-10-19(23)12-17)25-22(27)14-24-21(26)13-18-9-4-7-16-6-2-3-11-20(16)18/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyUFIKIPQSEMSDNX-HNNXBMFYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977
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CID 51323962
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
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N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826717
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9164665) is N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is C[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UFIKIPQSEMSDNX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-15(17-8-5-10-19(23)12-17)25-22(27)14-24-21(26)13-18-9-4-7-16-6-2-3-11-20(16)18/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,27)/t15-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 380.88 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9164665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).