1-(3-chloro-4-cyanophenyl)-3-ethylurea

C10H10ClN3O — CID 115569840

IUPAC1-(3-chloro-4-cyanophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-2-13-10(15)14-8-4-3-7(6-12)9(11)5-8/h3-5H,2H2,1H3,(H2,13,14,15)
InChIKeySQKGXJFLMWGXPO-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-chloro-4-cyanophenyl)-3-ethylurea

1-(3-chloro-4-cyanophenyl)-3-ethylurea (PubChem CID 115569840) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(3-chloro-4-cyanophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-chloro-4-cyanophenyl)-3-ethylurea
PubChem CID115569840
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-(3-chloro-4-cyanophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H10ClN3O/c1-2-13-10(15)14-8-4-3-7(6-12)9(11)5-8/h3-5H,2H2,1H3,(H2,13,14,15)
InChIKeySQKGXJFLMWGXPO-UHFFFAOYSA-N
XLogP2.35
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572940
1-(3-chloro-4-cyanophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473269
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
2-[(3-chloro-4-cyanophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266932
4-[(3-chloro-4-cyanophenyl)carbamoylamino]-4-oxobutanoic acid
CID 43348173
1-(3-chloro-4-cyanophenyl)-3-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51945011
1-[4-(3-chloro-4-cyanophenyl)phenyl]-3-(2-chloroethyl)urea
CID 22098636
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62165795
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374422
N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165803

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyanophenyl)-3-ethylurea?
The IUPAC name of 1-(3-chloro-4-cyanophenyl)-3-ethylurea (CID 115569840) is 1-(3-chloro-4-cyanophenyl)-3-ethylurea.
What is the SMILES notation for 1-(3-chloro-4-cyanophenyl)-3-ethylurea?
The canonical SMILES for 1-(3-chloro-4-cyanophenyl)-3-ethylurea is CCNC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyanophenyl)-3-ethylurea?
The InChIKey is SQKGXJFLMWGXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-2-13-10(15)14-8-4-3-7(6-12)9(11)5-8/h3-5H,2H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-chloro-4-cyanophenyl)-3-ethylurea?
1-(3-chloro-4-cyanophenyl)-3-ethylurea has a molecular weight of 223.66 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyanophenyl)-3-ethylurea is sourced from PubChem (CID 115569840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).