4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide

C18H18ClNO4 — CID 158622602

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
SMILESCOc1cc(C(=O)NCC(C)=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-12(21)10-20-18(22)14-5-8-16(17(9-14)23-2)24-11-13-3-6-15(19)7-4-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyQCJVJINRBUBUOT-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.25
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide (PubChem CID 158622602) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
PubChem CID158622602
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
SMILESCOc1cc(C(=O)NCC(C)=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-12(21)10-20-18(22)14-5-8-16(17(9-14)23-2)24-11-13-3-6-15(19)7-4-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyQCJVJINRBUBUOT-UHFFFAOYSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-N-(furan-3-ylmethyl)-3-methoxybenzamide
CID 55702606
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
CID 82184682
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
3-[[4-(4-chlorophenyl)phenyl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155530092
3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3803468

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide (CID 158622602) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide is COc1cc(C(=O)NCC(C)=O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide?
The InChIKey is QCJVJINRBUBUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12(21)10-20-18(22)14-5-8-16(17(9-14)23-2)24-11-13-3-6-15(19)7-4-13/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide has a molecular weight of 347.80 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 158622602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).