4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide

C19H28ClN3O2 — CID 109147112

IUPAC4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-13-16(20)5-4-6-17(13)22-19(25)15-9-7-14(8-10-15)18(24)21-11-12-23(2)3/h4-6,14-15H,7-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZWGOGEYIINWKDK-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.07
Rot. Bonds6

About 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide

4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109147112) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109147112
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-13-16(20)5-4-6-17(13)22-19(25)15-9-7-14(8-10-15)18(24)21-11-12-23(2)3/h4-6,14-15H,7-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZWGOGEYIINWKDK-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107
1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 8668575
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274
1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150532
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113007215
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
1-N'-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973822
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide (CID 109147112) is 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide is Cc1c(Cl)cccc1NC(=O)C1CCC(C(=O)NCCN(C)C)CC1.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is ZWGOGEYIINWKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-13-16(20)5-4-6-17(13)22-19(25)15-9-7-14(8-10-15)18(24)21-11-12-23(2)3/h4-6,14-15H,7-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 365.91 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).