4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide

C19H20ClNO3 — CID 110442796

IUPAC4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-23-16-8-5-14(11-17(16)24-2)19(9-10-19)12-21-18(22)13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyRZQLYOZQPDUAOV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.82
Rot. Bonds6

About 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide

4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide (PubChem CID 110442796) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
PubChem CID110442796
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-23-16-8-5-14(11-17(16)24-2)19(9-10-19)12-21-18(22)13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyRZQLYOZQPDUAOV-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
CID 113090881
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111100048
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide (CID 110442796) is 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide?
The InChIKey is RZQLYOZQPDUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-23-16-8-5-14(11-17(16)24-2)19(9-10-19)12-21-18(22)13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide?
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 110442796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).