1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

C14H19ClN2O3 — CID 94800612

IUPAC1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESO=C(NC[C@@H](O)COCC1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c15-11-2-1-3-12(6-11)17-14(19)16-7-13(18)9-20-8-10-4-5-10/h1-3,6,10,13,18H,4-5,7-9H2,(H2,16,17,19)/t13-/m1/s1
InChIKeyIIDCFHTXMDJHEB-CYBMUJFWSA-N
MW298.77 g/mol
LogP2.25
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (PubChem CID 94800612) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
PubChem CID94800612
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESO=C(NC[C@@H](O)COCC1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c15-11-2-1-3-12(6-11)17-14(19)16-7-13(18)9-20-8-10-4-5-10/h1-3,6,10,13,18H,4-5,7-9H2,(H2,16,17,19)/t13-/m1/s1
InChIKeyIIDCFHTXMDJHEB-CYBMUJFWSA-N
XLogP2.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (CID 94800612) is 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is O=C(NC[C@@H](O)COCC1CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The InChIKey is IIDCFHTXMDJHEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-11-2-1-3-12(6-11)17-14(19)16-7-13(18)9-20-8-10-4-5-10/h1-3,6,10,13,18H,4-5,7-9H2,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea has a molecular weight of 298.77 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 94800612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).