1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea

C15H19ClN2O3 — CID 99829007

IUPAC1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea
SMILESCO[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)=O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-9(19)13-6-4-11(8-14(13)16)18-15(20)17-10-3-5-12(7-10)21-2/h4,6,8,10,12H,3,5,7H2,1-2H3,(H2,17,18,20)/t10-,12-/m1/s1
InChIKeyYRBFGPCFDGGVJR-ZYHUDNBSSA-N
MW310.78 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea

1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea (PubChem CID 99829007) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea.

Molecular Properties

Compound Name1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea
PubChem CID99829007
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea
SMILESCO[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)=O)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-9(19)13-6-4-11(8-14(13)16)18-15(20)17-10-3-5-12(7-10)21-2/h4,6,8,10,12H,3,5,7H2,1-2H3,(H2,17,18,20)/t10-,12-/m1/s1
InChIKeyYRBFGPCFDGGVJR-ZYHUDNBSSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea with MolForge

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Related Compounds

1-(4-acetyl-3-chlorophenyl)-3-[(1S,3R)-3-methoxycyclopentyl]urea
CID 99829008
2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
CID 114118376
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548831
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
2-chloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 61399256
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
1-(3-chloro-5-pyridin-4-ylphenyl)-3-(3-methoxycyclobutyl)urea
CID 166303040
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
CID 167767569
1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea
CID 114120074
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea?
The IUPAC name of 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea (CID 99829007) is 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea.
What is the SMILES notation for 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea?
The canonical SMILES for 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea is CO[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)=O)c(Cl)c2)C1.
What is the InChIKey of 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea?
The InChIKey is YRBFGPCFDGGVJR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(19)13-6-4-11(8-14(13)16)18-15(20)17-10-3-5-12(7-10)21-2/h4,6,8,10,12H,3,5,7H2,1-2H3,(H2,17,18,20)/t10-,12-/m1/s1.
What are the key properties of 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea?
1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea has a molecular weight of 310.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea is sourced from PubChem (CID 99829007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).