N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide

C17H18ClNO3 — CID 18112540

IUPACN-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-19(11-12-5-4-6-13(18)9-12)17(20)15-10-14(21-2)7-8-16(15)22-3/h4-10H,11H2,1-3H3
InChIKeyVTCJQXRDMVLCOU-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide

N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide (PubChem CID 18112540) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
PubChem CID18112540
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-19(11-12-5-4-6-13(18)9-12)17(20)15-10-14(21-2)7-8-16(15)22-3/h4-10H,11H2,1-3H3
InChIKeyVTCJQXRDMVLCOU-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 26893001
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18267904
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 39948381
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 26522130
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide (CID 18112540) is N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide is COc1ccc(OC)c(C(=O)N(C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide?
The InChIKey is VTCJQXRDMVLCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(11-12-5-4-6-13(18)9-12)17(20)15-10-14(21-2)7-8-16(15)22-3/h4-10H,11H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide?
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 18112540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).