N-(4-butylphenyl)-5-chloro-2-methoxybenzamide

C18H20ClNO2 — CID 3544721

IUPACN-(4-butylphenyl)-5-chloro-2-methoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-4-5-13-6-9-15(10-7-13)20-18(21)16-12-14(19)8-11-17(16)22-2/h6-12H,3-5H2,1-2H3,(H,20,21)
InChIKeyWEDRDMRFCUZLAX-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.94
Rot. Bonds6

About N-(4-butylphenyl)-5-chloro-2-methoxybenzamide

N-(4-butylphenyl)-5-chloro-2-methoxybenzamide (PubChem CID 3544721) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-chloro-2-methoxybenzamide
PubChem CID3544721
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(4-butylphenyl)-5-chloro-2-methoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-4-5-13-6-9-15(10-7-13)20-18(21)16-12-14(19)8-11-17(16)22-2/h6-12H,3-5H2,1-2H3,(H,20,21)
InChIKeyWEDRDMRFCUZLAX-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(4-butylphenyl)-5-chloro-2-methoxybenzamide (CID 3544721) is N-(4-butylphenyl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(4-butylphenyl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(4-butylphenyl)-5-chloro-2-methoxybenzamide is CCCCc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-chloro-2-methoxybenzamide?
The InChIKey is WEDRDMRFCUZLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-4-5-13-6-9-15(10-7-13)20-18(21)16-12-14(19)8-11-17(16)22-2/h6-12H,3-5H2,1-2H3,(H,20,21).
What are the key properties of N-(4-butylphenyl)-5-chloro-2-methoxybenzamide?
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 3544721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).