1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide

C21H24FN3O2 — CID 118774705

IUPAC1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)Nc2cccc(-c3ccc(F)cc3)c2)CCCCC1
InChIInChI=1S/C21H24FN3O2/c1-23-19(26)21(12-3-2-4-13-21)25-20(27)24-18-7-5-6-16(14-18)15-8-10-17(22)11-9-15/h5-11,14H,2-4,12-13H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyRJFWIAPLUCNNNS-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.06
Rot. Bonds4

About 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide

1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide (PubChem CID 118774705) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
PubChem CID118774705
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)Nc2cccc(-c3ccc(F)cc3)c2)CCCCC1
InChIInChI=1S/C21H24FN3O2/c1-23-19(26)21(12-3-2-4-13-21)25-20(27)24-18-7-5-6-16(14-18)15-8-10-17(22)11-9-15/h5-11,14H,2-4,12-13H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyRJFWIAPLUCNNNS-UHFFFAOYSA-N
XLogP4.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222697
1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 6487869
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
4-methyl-3-[[1-(methylcarbamoyl)cyclohexyl]carbamoylamino]benzamide
CID 118760974
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222705
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide (CID 118774705) is 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)Nc2cccc(-c3ccc(F)cc3)c2)CCCCC1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is RJFWIAPLUCNNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-23-19(26)21(12-3-2-4-13-21)25-20(27)24-18-7-5-6-16(14-18)15-8-10-17(22)11-9-15/h5-11,14H,2-4,12-13H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)phenyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118774705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).