4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide

C14H18FN3O2 — CID 47069861

IUPAC4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC(=O)NC1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O2/c15-10-3-7-11(8-4-10)17-13(19)9-1-5-12(6-2-9)18-14(16)20/h3-4,7-9,12H,1-2,5-6H2,(H,17,19)(H3,16,18,20)
InChIKeyLKLIGQULUXDENZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.99
Rot. Bonds3

About 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide

4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 47069861) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID47069861
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC(=O)NC1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O2/c15-10-3-7-11(8-4-10)17-13(19)9-1-5-12(6-2-9)18-14(16)20/h3-4,7-9,12H,1-2,5-6H2,(H,17,19)(H3,16,18,20)
InChIKeyLKLIGQULUXDENZ-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 10130948
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide
CID 165403886

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide (CID 47069861) is 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide is NC(=O)NC1CCC(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is LKLIGQULUXDENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-10-3-7-11(8-4-10)17-13(19)9-1-5-12(6-2-9)18-14(16)20/h3-4,7-9,12H,1-2,5-6H2,(H,17,19)(H3,16,18,20).
What are the key properties of 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47069861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).