[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea

C14H13Cl2N3O — CID 43744497

IUPAC[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-12-5-4-9(6-13(12)16)8-18-10-2-1-3-11(7-10)19-14(17)20/h1-7,18H,8H2,(H3,17,19,20)
InChIKeyWGGYRFWZDWLXMJ-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.10
Rot. Bonds4

About [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea

[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea (PubChem CID 43744497) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
PubChem CID43744497
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-12-5-4-9(6-13(12)16)8-18-10-2-1-3-11(7-10)19-14(17)20/h1-7,18H,8H2,(H3,17,19,20)
InChIKeyWGGYRFWZDWLXMJ-UHFFFAOYSA-N
XLogP4.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
[3-[(2-chloro-4-fluorophenyl)methylamino]phenyl]urea
CID 103818257
[3-[(3-nitrophenyl)methylamino]phenyl]urea
CID 43744457
N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968012
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide
CID 43761409
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea?
The IUPAC name of [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea (CID 43744497) is [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea.
What is the SMILES notation for [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea?
The canonical SMILES for [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea is NC(=O)Nc1cccc(NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea?
The InChIKey is WGGYRFWZDWLXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-12-5-4-9(6-13(12)16)8-18-10-2-1-3-11(7-10)19-14(17)20/h1-7,18H,8H2,(H3,17,19,20).
What are the key properties of [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea?
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea has a molecular weight of 310.18 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dichlorophenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).