(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide

C18H20ClN3O2 — CID 9356593

IUPAC(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-10-6-7-11-15(14)19)21-16(13-8-4-3-5-9-13)17(23)22-18(24)20-2/h3-12,16,21H,1-2H3,(H2,20,22,23,24)/t12-,16+/m1/s1
InChIKeyBWMYEFBSEQHWSA-WBMJQRKESA-N
MW345.83 g/mol
LogP3.19
Rot. Bonds5

About (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 9356593) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID9356593
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-10-6-7-11-15(14)19)21-16(13-8-4-3-5-9-13)17(23)22-18(24)20-2/h3-12,16,21H,1-2H3,(H2,20,22,23,24)/t12-,16+/m1/s1
InChIKeyBWMYEFBSEQHWSA-WBMJQRKESA-N
XLogP3.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7590367
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
2-[1-(2-chlorophenyl)ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 18088205
(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9307161
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2S)-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8891084
2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24594116
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 9356593) is (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is BWMYEFBSEQHWSA-WBMJQRKESA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(14-10-6-7-11-15(14)19)21-16(13-8-4-3-5-9-13)17(23)22-18(24)20-2/h3-12,16,21H,1-2H3,(H2,20,22,23,24)/t12-,16+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 345.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 9356593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).