2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide

C16H17ClN2O2 — CID 43736525

IUPAC2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
SMILESCOc1cccc(C(C)Nc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-4-3-5-13(8-11)21-2)19-12-6-7-14(16(18)20)15(17)9-12/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyUADHWFBQMAAKJH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.62
Rot. Bonds5

About 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide

2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide (PubChem CID 43736525) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
PubChem CID43736525
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
SMILESCOc1cccc(C(C)Nc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10(11-4-3-5-13(8-11)21-2)19-12-6-7-14(16(18)20)15(17)9-12/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyUADHWFBQMAAKJH-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
2-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 43686946
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
methyl 2-chloro-5-[1-(3-methylphenyl)ethylamino]benzoate
CID 43778963
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide?
The IUPAC name of 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide (CID 43736525) is 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide?
The canonical SMILES for 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide is COc1cccc(C(C)Nc2ccc(C(N)=O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide?
The InChIKey is UADHWFBQMAAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(11-4-3-5-13(8-11)21-2)19-12-6-7-14(16(18)20)15(17)9-12/h3-10,19H,1-2H3,(H2,18,20).
What are the key properties of 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide?
2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide is sourced from PubChem (CID 43736525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).