(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide

C21H25ClN2O2 — CID 10474463

IUPAC(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CN(C(=O)[C@@H](C)Cl)[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-15(22)21(26)24(17(3)19-12-8-5-9-13-19)14-20(25)23-16(2)18-10-6-4-7-11-18/h4-13,15-17H,14H2,1-3H3,(H,23,25)/t15-,16+,17+/m1/s1
InChIKeyPFFHYWMMHXQTIH-IKGGRYGDSA-N
MW372.90 g/mol
LogP4.08
Rot. Bonds7

About (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide

(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 10474463) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID10474463
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CN(C(=O)[C@@H](C)Cl)[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-15(22)21(26)24(17(3)19-12-8-5-9-13-19)14-20(25)23-16(2)18-10-6-4-7-11-18/h4-13,15-17H,14H2,1-3H3,(H,23,25)/t15-,16+,17+/m1/s1
InChIKeyPFFHYWMMHXQTIH-IKGGRYGDSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 55552669
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide (CID 10474463) is (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)CN(C(=O)[C@@H](C)Cl)[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is PFFHYWMMHXQTIH-IKGGRYGDSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15(22)21(26)24(17(3)19-12-8-5-9-13-19)14-20(25)23-16(2)18-10-6-4-7-11-18/h4-13,15-17H,14H2,1-3H3,(H,23,25)/t15-,16+,17+/m1/s1.
What are the key properties of (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide?
(2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 372.90 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 10474463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).