(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide

C19H22ClN3O2 — CID 8599195

IUPAC(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H22ClN3O2/c1-3-21-19(25)23-18(24)17(14-8-5-4-6-9-14)22-13(2)15-10-7-11-16(20)12-15/h4-13,17,22H,3H2,1-2H3,(H2,21,23,24,25)/t13-,17-/m1/s1
InChIKeyNCVCQJDLJKWWDN-CXAGYDPISA-N
MW359.86 g/mol
LogP3.58
Rot. Bonds6

About (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide

(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide (PubChem CID 8599195) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
PubChem CID8599195
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H22ClN3O2/c1-3-21-19(25)23-18(24)17(14-8-5-4-6-9-14)22-13(2)15-10-7-11-16(20)12-15/h4-13,17,22H,3H2,1-2H3,(H2,21,23,24,25)/t13-,17-/m1/s1
InChIKeyNCVCQJDLJKWWDN-CXAGYDPISA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.58
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
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
CID 8599213
(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
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8599251
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide (CID 8599195) is (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide is CCNC(=O)NC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The InChIKey is NCVCQJDLJKWWDN-CXAGYDPISA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-21-19(25)23-18(24)17(14-8-5-4-6-9-14)22-13(2)15-10-7-11-16(20)12-15/h4-13,17,22H,3H2,1-2H3,(H2,21,23,24,25)/t13-,17-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide?
(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide has a molecular weight of 359.86 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 8599195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).