1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea

C14H15ClN2O2 — CID 47171952

IUPAC1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
SMILESCC(Cc1ccco1)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
InChIKeyKKRKQEANMDWBDZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea

1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea (PubChem CID 47171952) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
PubChem CID47171952
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
SMILESCC(Cc1ccco1)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
InChIKeyKKRKQEANMDWBDZ-UHFFFAOYSA-N
XLogP3.69
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 92868257
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide
CID 55698314
5-chloro-2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179264
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
2-[1-(furan-2-yl)propan-2-ylamino]-N-(4-methylphenyl)acetamide
CID 61043887
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084227

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea (CID 47171952) is 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea is CC(Cc1ccco1)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
The InChIKey is KKRKQEANMDWBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea?
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea has a molecular weight of 278.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea is sourced from PubChem (CID 47171952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).