N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide

C23H29ClN4O2 — CID 166834763

IUPACN-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccccc1C(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-28(2)21-6-4-3-5-20(21)22(29)26-18-11-13-19(14-12-18)27-23(30)25-15-16-7-9-17(24)10-8-16/h3-10,18-19H,11-15H2,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyAQRVTZSCDWJSAH-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide

N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide (PubChem CID 166834763) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide
PubChem CID166834763
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccccc1C(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-28(2)21-6-4-3-5-20(21)22(29)26-18-11-13-19(14-12-18)27-23(30)25-15-16-7-9-17(24)10-8-16/h3-10,18-19H,11-15H2,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyAQRVTZSCDWJSAH-UHFFFAOYSA-N
XLogP3.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
1-[(4-chlorophenyl)methyl]-3-[4-[(2-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834992
2-N-[(4-chlorophenyl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093837
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
1-[(4-chlorophenyl)methyl]-3-(6-methylspiro[3.3]heptan-2-yl)urea
CID 170378931
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
CID 166834836
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide (CID 166834763) is N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide is CN(C)c1ccccc1C(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide?
The InChIKey is AQRVTZSCDWJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-28(2)21-6-4-3-5-20(21)22(29)26-18-11-13-19(14-12-18)27-23(30)25-15-16-7-9-17(24)10-8-16/h3-10,18-19H,11-15H2,1-2H3,(H,26,29)(H2,25,27,30).
What are the key properties of N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide?
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide has a molecular weight of 428.96 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 166834763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).