4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide

C16H21ClN2O3 — CID 118780861

IUPAC4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
SMILESCNC(=O)C1(NC(=O)c2ccc(Cl)cc2OC)CCCCC1
InChIInChI=1S/C16H21ClN2O3/c1-18-15(21)16(8-4-3-5-9-16)19-14(20)12-7-6-11(17)10-13(12)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKYXUQLVVFDCEGH-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.53
Rot. Bonds4

About 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide

4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide (PubChem CID 118780861) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
PubChem CID118780861
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
SMILESCNC(=O)C1(NC(=O)c2ccc(Cl)cc2OC)CCCCC1
InChIInChI=1S/C16H21ClN2O3/c1-18-15(21)16(8-4-3-5-9-16)19-14(20)12-7-6-11(17)10-13(12)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKYXUQLVVFDCEGH-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
CID 77095745
4-chloro-2-methoxy-N-[[(2S)-2-methylthiolan-2-yl]methyl]benzamide
CID 96541178
4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
CID 91795547
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide (CID 118780861) is 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide is CNC(=O)C1(NC(=O)c2ccc(Cl)cc2OC)CCCCC1.
What is the InChIKey of 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is KYXUQLVVFDCEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-18-15(21)16(8-4-3-5-9-16)19-14(20)12-7-6-11(17)10-13(12)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 324.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[1-(methylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 118780861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).