2-(3-chlorophenyl)ethylurea

C9H11ClN2O — CID 127513466

IUPAC2-(3-chlorophenyl)ethylurea
SMILESNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)4-5-12-9(11)13/h1-3,6H,4-5H2,(H3,11,12,13)
InChIKeyUJHWWSMPEHTGKM-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-chlorophenyl)ethylurea

2-(3-chlorophenyl)ethylurea (PubChem CID 127513466) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethylurea.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethylurea
PubChem CID127513466
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-(3-chlorophenyl)ethylurea
SMILESNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)4-5-12-9(11)13/h1-3,6H,4-5H2,(H3,11,12,13)
InChIKeyUJHWWSMPEHTGKM-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 43616522
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethylurea?
The IUPAC name of 2-(3-chlorophenyl)ethylurea (CID 127513466) is 2-(3-chlorophenyl)ethylurea.
What is the SMILES notation for 2-(3-chlorophenyl)ethylurea?
The canonical SMILES for 2-(3-chlorophenyl)ethylurea is NC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethylurea?
The InChIKey is UJHWWSMPEHTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)4-5-12-9(11)13/h1-3,6H,4-5H2,(H3,11,12,13).
What are the key properties of 2-(3-chlorophenyl)ethylurea?
2-(3-chlorophenyl)ethylurea has a molecular weight of 198.65 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethylurea is sourced from PubChem (CID 127513466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).