4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide

C18H18ClNO2 — CID 78811592

IUPAC4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-17-10-2-13(3-11-17)12-20(16-8-9-16)18(21)14-4-6-15(19)7-5-14/h2-7,10-11,16H,8-9,12H2,1H3
InChIKeyAZIPLUIOTNPWKS-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide

4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 78811592) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID78811592
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-17-10-2-13(3-11-17)12-20(16-8-9-16)18(21)14-4-6-15(19)7-5-14/h2-7,10-11,16H,8-9,12H2,1H3
InChIKeyAZIPLUIOTNPWKS-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 9298244
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 7123320
4-chloro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 5145093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide (CID 78811592) is 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is AZIPLUIOTNPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-22-17-10-2-13(3-11-17)12-20(16-8-9-16)18(21)14-4-6-15(19)7-5-14/h2-7,10-11,16H,8-9,12H2,1H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 315.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 78811592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).