1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea

C14H13Cl2N3O — CID 64895840

IUPAC1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
SMILESNCc1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O/c15-10-5-6-11(16)13(7-10)19-14(20)18-12-4-2-1-3-9(12)8-17/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyQMCGHQSNHDAIKZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.10
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea

1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea (PubChem CID 64895840) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
PubChem CID64895840
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
SMILESNCc1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O/c15-10-5-6-11(16)13(7-10)19-14(20)18-12-4-2-1-3-9(12)8-17/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyQMCGHQSNHDAIKZ-UHFFFAOYSA-N
XLogP4.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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

1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-[2-(aminomethyl)-5-chlorophenyl]-3-(5-oxo-2H-furan-3-yl)urea
CID 150939947
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea (CID 64895840) is 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea is NCc1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea?
The InChIKey is QMCGHQSNHDAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-10-5-6-11(16)13(7-10)19-14(20)18-12-4-2-1-3-9(12)8-17/h1-7H,8,17H2,(H2,18,19,20).
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea?
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea has a molecular weight of 310.18 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 64895840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).