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

C14H15ClN2O2 — CID 121127180

IUPAC1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea
SMILESCC(Cc1ccoc1)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-10(8-11-6-7-19-9-11)16-14(18)17-13-5-3-2-4-12(13)15/h2-7,9-10H,8H2,1H3,(H2,16,17,18)
InChIKeyTVRXSLFJNIFBIT-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.69
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea (PubChem CID 121127180) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea
PubChem CID121127180
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea
SMILESCC(Cc1ccoc1)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-10(8-11-6-7-19-9-11)16-14(18)17-13-5-3-2-4-12(13)15/h2-7,9-10H,8H2,1H3,(H2,16,17,18)
InChIKeyTVRXSLFJNIFBIT-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-(2-chlorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376614
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
CID 121127163
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
CID 61124006
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea (CID 121127180) is 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea is CC(Cc1ccoc1)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea?
The InChIKey is TVRXSLFJNIFBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(8-11-6-7-19-9-11)16-14(18)17-13-5-3-2-4-12(13)15/h2-7,9-10H,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea?
1-(2-chlorophenyl)-3-[1-(furan-3-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-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea is sourced from PubChem (CID 121127180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).