2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide

C18H21ClN2O2 — CID 9335503

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(14-7-9-16(19)10-8-14)20-12-18(22)21-11-15-5-3-4-6-17(15)23-2/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyVPQDRQCNUPVELU-CYBMUJFWSA-N
MW332.83 g/mol
LogP3.32
Rot. Bonds7

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 9335503) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID9335503
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(14-7-9-16(19)10-8-14)20-12-18(22)21-11-15-5-3-4-6-17(15)23-2/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyVPQDRQCNUPVELU-CYBMUJFWSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8636999
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8852725
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997945
2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 87013552
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 9335503) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is VPQDRQCNUPVELU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(14-7-9-16(19)10-8-14)20-12-18(22)21-11-15-5-3-4-6-17(15)23-2/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9335503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).