N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide

C17H18ClNO3 — CID 4960108

IUPACN-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-3-9-22-14-6-4-5-12(10-14)17(20)19-13-7-8-16(21-2)15(18)11-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyQOLGLXQXCPWNKX-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.39
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide

N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide (PubChem CID 4960108) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
PubChem CID4960108
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-3-9-22-14-6-4-5-12(10-14)17(20)19-13-7-8-16(21-2)15(18)11-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyQOLGLXQXCPWNKX-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
CID 22780959
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide (CID 4960108) is N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide?
The InChIKey is QOLGLXQXCPWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-3-9-22-14-6-4-5-12(10-14)17(20)19-13-7-8-16(21-2)15(18)11-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide?
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide is sourced from PubChem (CID 4960108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).