1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea

C16H22FN3O3 — CID 95601505

IUPAC1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea
SMILESCC(C)Oc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)c(F)c1
InChIInChI=1S/C16H22FN3O3/c1-10(2)23-11-6-7-13(12(17)9-11)19-16(22)20-14-5-3-4-8-18-15(14)21/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,21)(H2,19,20,22)/t14-/m1/s1
InChIKeyJPKIWXHWORKIHX-CQSZACIVSA-N
MW323.37 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea

1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea (PubChem CID 95601505) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea
PubChem CID95601505
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea
SMILESCC(C)Oc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)c(F)c1
InChIInChI=1S/C16H22FN3O3/c1-10(2)23-11-6-7-13(12(17)9-11)19-16(22)20-14-5-3-4-8-18-15(14)21/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,21)(H2,19,20,22)/t14-/m1/s1
InChIKeyJPKIWXHWORKIHX-CQSZACIVSA-N
XLogP2.40
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea with MolForge

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Related Compounds

1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95614995
3-fluoro-4-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63188170
1-[2-methyl-5-[[(3R)-2-oxoazepan-3-yl]carbamoylamino]phenyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 51961629
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
CID 2805571
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95601510
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
(3S)-3-[2-(4-propan-2-yloxyphenoxy)ethylamino]azepan-2-one
CID 50956907
1-[(3R)-2-oxoazepan-3-yl]-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 97311916
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120928774

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea?
The IUPAC name of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea (CID 95601505) is 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea?
The canonical SMILES for 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea is CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea?
The InChIKey is JPKIWXHWORKIHX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-10(2)23-11-6-7-13(12(17)9-11)19-16(22)20-14-5-3-4-8-18-15(14)21/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,21)(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea?
1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea has a molecular weight of 323.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-[(3R)-2-oxoazepan-3-yl]urea is sourced from PubChem (CID 95601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).