N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide

C15H15ClN2O2 — CID 62500246

IUPACN-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1cccc(N)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-8-11(16)5-6-13(14)15(19)18-9-10-3-2-4-12(17)7-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyYERJZCONEXJQQC-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.86
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide

N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide (PubChem CID 62500246) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
PubChem CID62500246
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1cccc(N)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-8-11(16)5-6-13(14)15(19)18-9-10-3-2-4-12(17)7-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyYERJZCONEXJQQC-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.86
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

4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide (CID 62500246) is N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide?
The InChIKey is YERJZCONEXJQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-8-11(16)5-6-13(14)15(19)18-9-10-3-2-4-12(17)7-10/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide?
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 62500246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).