N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide

C17H18Cl2N2O2 — CID 9306824

IUPACN-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(13-5-3-4-6-14(13)18)20-10-17(22)21-12-7-8-16(23-2)15(19)9-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyNTVSLNXBSCNQQN-NSHDSACASA-N
MW353.25 g/mol
LogP4.29
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9306824) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
PubChem CID9306824
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11(13-5-3-4-6-14(13)18)20-10-17(22)21-12-7-8-16(23-2)15(19)9-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyNTVSLNXBSCNQQN-NSHDSACASA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307080
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468596
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9307195
2-[1-(2-chlorophenyl)ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 51171758
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide (CID 9306824) is N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide is COc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is NTVSLNXBSCNQQN-NSHDSACASA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(13-5-3-4-6-14(13)18)20-10-17(22)21-12-7-8-16(23-2)15(19)9-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 353.25 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9306824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).