1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea

C14H21ClN2O3 — CID 111431527

IUPAC1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCOc1ccc(Cl)c(NC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C14H21ClN2O3/c1-9(2)6-10(18)8-16-14(19)17-13-7-11(20-3)4-5-12(13)15/h4-5,7,9-10,18H,6,8H2,1-3H3,(H2,16,17,19)
InChIKeyJOJWTJXFPSZYAQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea

1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111431527) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111431527
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCOc1ccc(Cl)c(NC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C14H21ClN2O3/c1-9(2)6-10(18)8-16-14(19)17-13-7-11(20-3)4-5-12(13)15/h4-5,7,9-10,18H,6,8H2,1-3H3,(H2,16,17,19)
InChIKeyJOJWTJXFPSZYAQ-UHFFFAOYSA-N
XLogP2.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66164907
(2S)-3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007392
1-(2-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431023
1-[[(2-chloro-5-methoxyphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451488
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea (CID 111431527) is 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea is COc1ccc(Cl)c(NC(=O)NCC(O)CC(C)C)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is JOJWTJXFPSZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)6-10(18)8-16-14(19)17-13-7-11(20-3)4-5-12(13)15/h4-5,7,9-10,18H,6,8H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 300.79 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111431527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).