1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea

C14H19ClN2O2 — CID 71787556

IUPAC1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea
SMILESO=C(NCCC(O)C1CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c15-12-5-1-10(2-6-12)9-17-14(19)16-8-7-13(18)11-3-4-11/h1-2,5-6,11,13,18H,3-4,7-9H2,(H2,16,17,19)
InChIKeyZKVQEYPSHFGTRW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.30
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea

1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea (PubChem CID 71787556) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea
PubChem CID71787556
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea
SMILESO=C(NCCC(O)C1CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c15-12-5-1-10(2-6-12)9-17-14(19)16-8-7-13(18)11-3-4-11/h1-2,5-6,11,13,18H,3-4,7-9H2,(H2,16,17,19)
InChIKeyZKVQEYPSHFGTRW-UHFFFAOYSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea (CID 71787556) is 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea is O=C(NCCC(O)C1CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea?
The InChIKey is ZKVQEYPSHFGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-5-1-10(2-6-12)9-17-14(19)16-8-7-13(18)11-3-4-11/h1-2,5-6,11,13,18H,3-4,7-9H2,(H2,16,17,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea?
1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea has a molecular weight of 282.77 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(3-cyclopropyl-3-hydroxypropyl)urea is sourced from PubChem (CID 71787556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).