1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea

C14H21ClN2O2 — CID 110894614

IUPAC1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-2-3-7-17(8-9-18)14(19)16-11-12-5-4-6-13(15)10-12/h4-6,10,18H,2-3,7-9,11H2,1H3,(H,16,19)
InChIKeyLAMIBNJUQNFTJN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.64
Rot. Bonds7

About 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea

1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 110894614) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID110894614
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-2-3-7-17(8-9-18)14(19)16-11-12-5-4-6-13(15)10-12/h4-6,10,18H,2-3,7-9,11H2,1H3,(H,16,19)
InChIKeyLAMIBNJUQNFTJN-UHFFFAOYSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
1-butyl-3-[(3-chlorophenyl)methyl]-1-methylurea
CID 110301221
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111106652
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
3-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
CID 3931866
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea (CID 110894614) is 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is LAMIBNJUQNFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-2-3-7-17(8-9-18)14(19)16-11-12-5-4-6-13(15)10-12/h4-6,10,18H,2-3,7-9,11H2,1H3,(H,16,19).
What are the key properties of 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea?
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 284.79 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).