2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide

C18H21ClN2O2 — CID 9307734

IUPAC2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-13(14-7-5-8-16(19)10-14)20-12-18(22)21-11-15-6-3-4-9-17(15)23-2/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyGJIVNVKWLKODJP-CYBMUJFWSA-N
MW332.83 g/mol
LogP3.32
Rot. Bonds7

About 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 9307734) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID9307734
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-13(14-7-5-8-16(19)10-14)20-12-18(22)21-11-15-6-3-4-9-17(15)23-2/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyGJIVNVKWLKODJP-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-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8599507
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 110410161

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 9307734) is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is GJIVNVKWLKODJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(14-7-5-8-16(19)10-14)20-12-18(22)21-11-15-6-3-4-9-17(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-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[[(1R)-1-(3-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-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9307734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).