4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide

C21H24FN3O2 — CID 60571999

IUPAC4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C21H24FN3O2/c22-17-8-6-16(7-9-17)21(12-2-1-3-13-21)14-24-19(26)15-4-10-18(11-5-15)25-20(23)27/h4-11H,1-3,12-14H2,(H,24,26)(H3,23,25,27)
InChIKeyXQHMRSLFLDQECT-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.95
Rot. Bonds5

About 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide

4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide (PubChem CID 60571999) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
PubChem CID60571999
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C21H24FN3O2/c22-17-8-6-16(7-9-17)21(12-2-1-3-13-21)14-24-19(26)15-4-10-18(11-5-15)25-20(23)27/h4-11H,1-3,12-14H2,(H,24,26)(H3,23,25,27)
InChIKeyXQHMRSLFLDQECT-UHFFFAOYSA-N
XLogP3.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[4-[[1-(4-fluorophenyl)cyclopentyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55843746
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80708473
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
CID 110930692
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide (CID 60571999) is 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide is NC(=O)Nc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide?
The InChIKey is XQHMRSLFLDQECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-17-8-6-16(7-9-17)21(12-2-1-3-13-21)14-24-19(26)15-4-10-18(11-5-15)25-20(23)27/h4-11H,1-3,12-14H2,(H,24,26)(H3,23,25,27).
What are the key properties of 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide?
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 60571999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).