1-(2,6-dichloroanilino)-3-propan-2-ylurea

C10H13Cl2N3O — CID 2743135

IUPAC1-(2,6-dichloroanilino)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-6(2)13-10(16)15-14-9-7(11)4-3-5-8(9)12/h3-6,14H,1-2H3,(H2,13,15,16)
InChIKeyITMZANIETNZPCI-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.03
Rot. Bonds3

About 1-(2,6-dichloroanilino)-3-propan-2-ylurea

1-(2,6-dichloroanilino)-3-propan-2-ylurea (PubChem CID 2743135) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 1-(2,6-dichloroanilino)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,6-dichloroanilino)-3-propan-2-ylurea
PubChem CID2743135
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name1-(2,6-dichloroanilino)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-6(2)13-10(16)15-14-9-7(11)4-3-5-8(9)12/h3-6,14H,1-2H3,(H2,13,15,16)
InChIKeyITMZANIETNZPCI-UHFFFAOYSA-N
XLogP3.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-3-(2,4,6-trichloroanilino)thiourea
CID 2350012
1-(2-Chloroethyl)-3-(2,4,6-trichloroanilino)urea
CID 2327323
1-(2,6-Dichloroanilino)-3-ethylurea
CID 2743134
1-(2,6-Dichloro-4-fluoroanilino)-3-(5-hydroxypentan-2-yl)urea
CID 109924664
1-(4-Chloroanilino)-3-ethylurea
CID 129909887
1-(2,6-Dichlorophenyl)-3-(2,2,2-trifluoroethylamino)urea
CID 134106255
1-Propan-2-yl-3-(2,4,6-trichloroanilino)thiourea
CID 2448697
N-(2,6-dichlorophenyl)-2,2-dimethylhydrazinecarboxamide
CID 4459299
(2,6-Dichloroanilino)urea
CID 19692654
1-(2-Chloroanilino)-3-prop-2-enylurea
CID 19762170
1-(2-Chloro-4-methylanilino)-3-prop-2-enylurea
CID 19762178
1-(4-Chloroanilino)-3-prop-2-enylurea
CID 19762181

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloroanilino)-3-propan-2-ylurea?
The IUPAC name of 1-(2,6-dichloroanilino)-3-propan-2-ylurea (CID 2743135) is 1-(2,6-dichloroanilino)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,6-dichloroanilino)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,6-dichloroanilino)-3-propan-2-ylurea is CC(C)NC(=O)NNc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichloroanilino)-3-propan-2-ylurea?
The InChIKey is ITMZANIETNZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6(2)13-10(16)15-14-9-7(11)4-3-5-8(9)12/h3-6,14H,1-2H3,(H2,13,15,16).
What are the key properties of 1-(2,6-dichloroanilino)-3-propan-2-ylurea?
1-(2,6-dichloroanilino)-3-propan-2-ylurea has a molecular weight of 262.14 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloroanilino)-3-propan-2-ylurea is sourced from PubChem (CID 2743135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).