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

C21H24FN3O2 — CID 47042246

IUPAC4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C21H24FN3O2/c22-18-9-7-17(8-10-18)21(11-1-2-12-21)14-25-19(26)16-5-3-15(4-6-16)13-24-20(23)27/h3-10H,1-2,11-14H2,(H,25,26)(H3,23,24,27)
InChIKeyANPUPXFOTRXMQQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.24
Rot. Bonds6

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

4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide (PubChem CID 47042246) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
PubChem CID47042246
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C21H24FN3O2/c22-18-9-7-17(8-10-18)21(11-1-2-12-21)14-25-19(26)16-5-3-15(4-6-16)13-24-20(23)27/h3-10H,1-2,11-14H2,(H,25,26)(H3,23,24,27)
InChIKeyANPUPXFOTRXMQQ-UHFFFAOYSA-N
XLogP3.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
N-[4-[[1-(4-fluorophenyl)cyclopentyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55843746
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide (CID 47042246) is 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide is NC(=O)NCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
The InChIKey is ANPUPXFOTRXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-9-7-17(8-10-18)21(11-1-2-12-21)14-25-19(26)16-5-3-15(4-6-16)13-24-20(23)27/h3-10H,1-2,11-14H2,(H,25,26)(H3,23,24,27).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide?
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 47042246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).