1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea

C21H24FN3O2 — CID 56835679

IUPAC1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
SMILESCc1ccc(CN2CCCCC(NC(=O)Nc3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C21H24FN3O2/c1-15-8-10-16(11-9-15)14-25-12-3-2-7-19(20(25)26)24-21(27)23-18-6-4-5-17(22)13-18/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H2,23,24,27)
InChIKeyUHXSGRDFEQVOLY-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea

1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea (PubChem CID 56835679) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
PubChem CID56835679
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
SMILESCc1ccc(CN2CCCCC(NC(=O)Nc3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C21H24FN3O2/c1-15-8-10-16(11-9-15)14-25-12-3-2-7-19(20(25)26)24-21(27)23-18-6-4-5-17(22)13-18/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H2,23,24,27)
InChIKeyUHXSGRDFEQVOLY-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
CID 119049842
N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
CID 56643350
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
CID 53488317
4-butoxy-N-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835672
N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxoazepan-3-yl]-5-(4-methylphenyl)pentanamide;ethane
CID 142114377
N-(1-benzyl-2-oxoazepan-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10225419
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea (CID 56835679) is 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea is Cc1ccc(CN2CCCCC(NC(=O)Nc3cccc(F)c3)C2=O)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea?
The InChIKey is UHXSGRDFEQVOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15-8-10-16(11-9-15)14-25-12-3-2-7-19(20(25)26)24-21(27)23-18-6-4-5-17(22)13-18/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea?
1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea has a molecular weight of 369.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea is sourced from PubChem (CID 56835679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).