1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea

C15H21ClN2O2 — CID 158191515

IUPAC1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
SMILESCC(=O)C(CNC(=O)Nc1ccc(Cl)cc1)CC(C)C
InChIInChI=1S/C15H21ClN2O2/c1-10(2)8-12(11(3)19)9-17-15(20)18-14-6-4-13(16)5-7-14/h4-7,10,12H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyKZLQBBPIYKLHCJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.71
Rot. Bonds6

About 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea

1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea (PubChem CID 158191515) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
PubChem CID158191515
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
SMILESCC(=O)C(CNC(=O)Nc1ccc(Cl)cc1)CC(C)C
InChIInChI=1S/C15H21ClN2O2/c1-10(2)8-12(11(3)19)9-17-15(20)18-14-6-4-13(16)5-7-14/h4-7,10,12H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyKZLQBBPIYKLHCJ-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
4-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066307
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 55102669
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
2-[[(2-bromo-4-chlorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 81281262
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
(2R)-2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 40551472
2-[[(3-carbamoyl-4-chlorophenyl)carbamoylamino]methyl]-4-methylpentanoic acid
CID 122126467
(2S)-2-amino-N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119747283
[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid
CID 162738984
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea (CID 158191515) is 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea is CC(=O)C(CNC(=O)Nc1ccc(Cl)cc1)CC(C)C.
What is the InChIKey of 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea?
The InChIKey is KZLQBBPIYKLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)8-12(11(3)19)9-17-15(20)18-14-6-4-13(16)5-7-14/h4-7,10,12H,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea?
1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea has a molecular weight of 296.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 158191515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).