N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide

C19H22ClNO3 — CID 165388260

IUPACN-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
SMILESCCCCN(C(=O)c1ccc(OC)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-5-12-21(14-6-8-15(23-2)9-7-14)19(22)17-11-10-16(24-3)13-18(17)20/h6-11,13H,4-5,12H2,1-3H3
InChIKeyXWKFBTYOZFMZCO-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.80
Rot. Bonds7

About N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide

N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide (PubChem CID 165388260) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
PubChem CID165388260
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
SMILESCCCCN(C(=O)c1ccc(OC)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-5-12-21(14-6-8-15(23-2)9-7-14)19(22)17-11-10-16(24-3)13-18(17)20/h6-11,13H,4-5,12H2,1-3H3
InChIKeyXWKFBTYOZFMZCO-UHFFFAOYSA-N
XLogP4.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide (CID 165388260) is N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide is CCCCN(C(=O)c1ccc(OC)cc1Cl)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide?
The InChIKey is XWKFBTYOZFMZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-5-12-21(14-6-8-15(23-2)9-7-14)19(22)17-11-10-16(24-3)13-18(17)20/h6-11,13H,4-5,12H2,1-3H3.
What are the key properties of N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide?
N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 165388260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).