4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide

C21H18ClNO3 — CID 1223749

IUPAC4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C21H18ClNO3/c1-25-20-9-5-3-7-18(20)23-21(24)16-12-10-15(11-13-16)14-26-19-8-4-2-6-17(19)22/h2-13H,14H2,1H3,(H,23,24)
InChIKeyVQDDNWQYDQDIGV-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.18
Rot. Bonds6

About 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide

4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide (PubChem CID 1223749) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
PubChem CID1223749
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C21H18ClNO3/c1-25-20-9-5-3-7-18(20)23-21(24)16-12-10-15(11-13-16)14-26-19-8-4-2-6-17(19)22/h2-13H,14H2,1H3,(H,23,24)
InChIKeyVQDDNWQYDQDIGV-UHFFFAOYSA-N
XLogP5.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide
CID 145488927
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide (CID 1223749) is 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide?
The InChIKey is VQDDNWQYDQDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-25-20-9-5-3-7-18(20)23-21(24)16-12-10-15(11-13-16)14-26-19-8-4-2-6-17(19)22/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide?
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide has a molecular weight of 367.83 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 1223749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).