3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide

C16H17ClN2O2 — CID 65022398

IUPAC3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1ccc(CNCc2cccc(C(N)=O)c2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-21-15-6-5-12(8-14(15)17)10-19-9-11-3-2-4-13(7-11)16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyRMPKOQANPFICMX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.74
Rot. Bonds6

About 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide

3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide (PubChem CID 65022398) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
PubChem CID65022398
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1ccc(CNCc2cccc(C(N)=O)c2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-21-15-6-5-12(8-14(15)17)10-19-9-11-3-2-4-13(7-11)16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyRMPKOQANPFICMX-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
CID 43426770
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide (CID 65022398) is 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide is COc1ccc(CNCc2cccc(C(N)=O)c2)cc1Cl.
What is the InChIKey of 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide?
The InChIKey is RMPKOQANPFICMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-6-5-12(8-14(15)17)10-19-9-11-3-2-4-13(7-11)16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide?
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 65022398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).