1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea

C14H14BrN3O — CID 68938927

IUPAC1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
SMILESNCc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyJLLVDCJTPHDWLZ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.55
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea

1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea (PubChem CID 68938927) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
PubChem CID68938927
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
SMILESNCc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyJLLVDCJTPHDWLZ-UHFFFAOYSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
CID 81328118
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-[4-(aminomethyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 62811695
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
(4-bromophenyl)urea
CID 16074

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea (CID 68938927) is 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea is NCc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea?
The InChIKey is JLLVDCJTPHDWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,9,16H2,(H2,17,18,19).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea?
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea has a molecular weight of 320.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea is sourced from PubChem (CID 68938927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).