[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea

C14H13ClN2O2 — CID 3074692

IUPAC[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea
SMILESNC(=O)NC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H13ClN2O2/c15-10-6-7-12(18)11(8-10)13(17-14(16)19)9-4-2-1-3-5-9/h1-8,13,18H,(H3,16,17,19)
InChIKeyMTTIYQGDEQOJOG-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.80
Rot. Bonds3

About [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea

[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea (PubChem CID 3074692) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea
PubChem CID3074692
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea
SMILESNC(=O)NC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H13ClN2O2/c15-10-6-7-12(18)11(8-10)13(17-14(16)19)9-4-2-1-3-5-9/h1-8,13,18H,(H3,16,17,19)
InChIKeyMTTIYQGDEQOJOG-UHFFFAOYSA-N
XLogP2.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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4-Chloro-2-{[(2-methylbenzyl)amino]methyl}phenol
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CID 25161470
CID 25161470
4-Chloro-2-[[(4-methylphenyl)methylamino]methyl]phenol;hydrochloride
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4-Chloro-2-[[(3,4-difluorophenyl)methylamino]methyl]phenol;hydrochloride
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4-Chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride
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N-benzyl-5-chloro-2-hydroxybenzenecarbothioamide
CID 135957277
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CID 156653883

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea?
The IUPAC name of [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea (CID 3074692) is [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea.
What is the SMILES notation for [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea?
The canonical SMILES for [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea is NC(=O)NC(c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea?
The InChIKey is MTTIYQGDEQOJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-10-6-7-12(18)11(8-10)13(17-14(16)19)9-4-2-1-3-5-9/h1-8,13,18H,(H3,16,17,19).
What are the key properties of [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea?
[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea has a molecular weight of 276.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea is sourced from PubChem (CID 3074692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).