N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide

C17H19ClN2O — CID 2684123

IUPACN-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13(14-7-3-2-4-8-14)19-12-17(21)20-11-15-9-5-6-10-16(15)18/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDFROHKRWJDNZOF-ZDUSSCGKSA-N
MW302.81 g/mol
LogP3.31
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 2684123) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
PubChem CID2684123
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13(14-7-3-2-4-8-14)19-12-17(21)20-11-15-9-5-6-10-16(15)18/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDFROHKRWJDNZOF-ZDUSSCGKSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
CID 43631782
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
CID 109020077
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 2684123) is N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide is C[C@H](NCC(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is DFROHKRWJDNZOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13(14-7-3-2-4-8-14)19-12-17(21)20-11-15-9-5-6-10-16(15)18/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 2684123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).