N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide

C15H15ClN2O2 — CID 63254170

IUPACN-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-6-5-11(16)8-13(14)15(19)18-12-4-2-3-10(7-12)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyLBAQCIRRNODMFT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.06
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide

N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide (PubChem CID 63254170) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
PubChem CID63254170
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-6-5-11(16)8-13(14)15(19)18-12-4-2-3-10(7-12)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyLBAQCIRRNODMFT-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-2-methoxybenzamide
CID 11841436
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide
CID 81469393
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929034
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
CID 117027311
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
[4-[[3-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931962
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide (CID 63254170) is N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide?
The InChIKey is LBAQCIRRNODMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-6-5-11(16)8-13(14)15(19)18-12-4-2-3-10(7-12)9-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide?
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 63254170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).