4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide

C16H18ClN3O — CID 62944562

IUPAC4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide
SMILESCC(c1cccc(N)c1)N(C)c1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-10(11-4-3-5-12(18)8-11)20(2)13-6-7-14(16(19)21)15(17)9-13/h3-10H,18H2,1-2H3,(H2,19,21)
InChIKeySYZXLKZZAQIPRZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.22
Rot. Bonds4

About 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide

4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide (PubChem CID 62944562) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide
PubChem CID62944562
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide
SMILESCC(c1cccc(N)c1)N(C)c1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-10(11-4-3-5-12(18)8-11)20(2)13-6-7-14(16(19)21)15(17)9-13/h3-10H,18H2,1-2H3,(H2,19,21)
InChIKeySYZXLKZZAQIPRZ-UHFFFAOYSA-N
XLogP3.22
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
CID 62979796
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
CID 79589980
4-[1-(3-aminophenyl)ethyl-methylamino]benzonitrile
CID 60869632
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid
CID 62944660
2-chloro-4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzamide
CID 59946023
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide
CID 62495061
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
CID 60870394
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide?
The IUPAC name of 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide (CID 62944562) is 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide.
What is the SMILES notation for 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide?
The canonical SMILES for 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide is CC(c1cccc(N)c1)N(C)c1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide?
The InChIKey is SYZXLKZZAQIPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(11-4-3-5-12(18)8-11)20(2)13-6-7-14(16(19)21)15(17)9-13/h3-10H,18H2,1-2H3,(H2,19,21).
What are the key properties of 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide?
4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminophenyl)ethyl-methylamino]-2-chlorobenzamide is sourced from PubChem (CID 62944562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).