(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide

C19H20Cl2N2O — CID 9041075

IUPAC(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O/c1-12(16-10-7-14(20)11-17(16)21)22-18(13-5-3-2-4-6-13)19(24)23-15-8-9-15/h2-7,10-12,15,18,22H,8-9H2,1H3,(H,23,24)/t12-,18-/m0/s1
InChIKeyHGJMMXNGQBDRAV-SGTLLEGYSA-N
MW363.29 g/mol
LogP4.66
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide (PubChem CID 9041075) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
PubChem CID9041075
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O/c1-12(16-10-7-14(20)11-17(16)21)22-18(13-5-3-2-4-6-13)19(24)23-15-8-9-15/h2-7,10-12,15,18,22H,8-9H2,1H3,(H,23,24)/t12-,18-/m0/s1
InChIKeyHGJMMXNGQBDRAV-SGTLLEGYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide
CID 9044058
2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24594116
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 86918939
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
CID 8646021
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide (CID 9041075) is (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide is C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide?
The InChIKey is HGJMMXNGQBDRAV-SGTLLEGYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-12(16-10-7-14(20)11-17(16)21)22-18(13-5-3-2-4-6-13)19(24)23-15-8-9-15/h2-7,10-12,15,18,22H,8-9H2,1H3,(H,23,24)/t12-,18-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide has a molecular weight of 363.29 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 9041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).