1-(3-chloro-4-phenoxyphenyl)-3-methylurea

C14H13ClN2O2 — CID 139434055

IUPAC1-(3-chloro-4-phenoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-16-14(18)17-10-7-8-13(12(15)9-10)19-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyFPLVPJKDWXVRFE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.88
Rot. Bonds3

About 1-(3-chloro-4-phenoxyphenyl)-3-methylurea

1-(3-chloro-4-phenoxyphenyl)-3-methylurea (PubChem CID 139434055) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(3-chloro-4-phenoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-chloro-4-phenoxyphenyl)-3-methylurea
PubChem CID139434055
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(3-chloro-4-phenoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-16-14(18)17-10-7-8-13(12(15)9-10)19-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyFPLVPJKDWXVRFE-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

S-methyl N-(3-chloro-4-phenoxyphenyl)carbamothioate
CID 12806991
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-3-methylurea
CID 12942090
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea
CID 139434078
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-phenoxyphenyl)-3-methylurea?
The IUPAC name of 1-(3-chloro-4-phenoxyphenyl)-3-methylurea (CID 139434055) is 1-(3-chloro-4-phenoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-chloro-4-phenoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(3-chloro-4-phenoxyphenyl)-3-methylurea is CNC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-phenoxyphenyl)-3-methylurea?
The InChIKey is FPLVPJKDWXVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-16-14(18)17-10-7-8-13(12(15)9-10)19-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-4-phenoxyphenyl)-3-methylurea?
1-(3-chloro-4-phenoxyphenyl)-3-methylurea has a molecular weight of 276.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-phenoxyphenyl)-3-methylurea is sourced from PubChem (CID 139434055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).