3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide

C18H25ClN2O4 — CID 55768059

IUPAC3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide
SMILESCCNC(=O)C1(NC(=O)c2cc(Cl)c(OC)c(OC)c2)CCCCC1
InChIInChI=1S/C18H25ClN2O4/c1-4-20-17(23)18(8-6-5-7-9-18)21-16(22)12-10-13(19)15(25-3)14(11-12)24-2/h10-11H,4-9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOYOUPDLZUIVPGI-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.93
Rot. Bonds6

About 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide

3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide (PubChem CID 55768059) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide
PubChem CID55768059
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide
SMILESCCNC(=O)C1(NC(=O)c2cc(Cl)c(OC)c(OC)c2)CCCCC1
InChIInChI=1S/C18H25ClN2O4/c1-4-20-17(23)18(8-6-5-7-9-18)21-16(22)12-10-13(19)15(25-3)14(11-12)24-2/h10-11H,4-9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOYOUPDLZUIVPGI-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[1-(ethylcarbamoyl)cyclohexyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55968811
3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
CID 27532791
3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
methyl 1-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]cyclopentane-1-carboxylate
CID 55561058
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55768184
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide
CID 66005162
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide (CID 55768059) is 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide is CCNC(=O)C1(NC(=O)c2cc(Cl)c(OC)c(OC)c2)CCCCC1.
What is the InChIKey of 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide?
The InChIKey is OYOUPDLZUIVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-4-20-17(23)18(8-6-5-7-9-18)21-16(22)12-10-13(19)15(25-3)14(11-12)24-2/h10-11H,4-9H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide?
3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide has a molecular weight of 368.86 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 55768059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).