(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide

C17H18ClN3O2 — CID 8599213

IUPAC(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@H](N[C@H](C(=O)NC(N)=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(13-8-5-9-14(18)10-13)20-15(16(22)21-17(19)23)12-6-3-2-4-7-12/h2-11,15,20H,1H3,(H3,19,21,22,23)/t11-,15-/m0/s1
InChIKeyQJWZXWHMJDHVGI-NHYWBVRUSA-N
MW331.80 g/mol
LogP2.93
Rot. Bonds5

About (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide

(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide (PubChem CID 8599213) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
PubChem CID8599213
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@H](N[C@H](C(=O)NC(N)=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(13-8-5-9-14(18)10-13)20-15(16(22)21-17(19)23)12-6-3-2-4-7-12/h2-11,15,20H,1H3,(H3,19,21,22,23)/t11-,15-/m0/s1
InChIKeyQJWZXWHMJDHVGI-NHYWBVRUSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599191
(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599195
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-carbamoyl-2-phenylacetamide
CID 9001607
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 8599214
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8599251
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide (CID 8599213) is (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide is C[C@H](N[C@H](C(=O)NC(N)=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide?
The InChIKey is QJWZXWHMJDHVGI-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(13-8-5-9-14(18)10-13)20-15(16(22)21-17(19)23)12-6-3-2-4-7-12/h2-11,15,20H,1H3,(H3,19,21,22,23)/t11-,15-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide?
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide has a molecular weight of 331.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8599213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).