1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea

C16H14BrN3O — CID 10172203

IUPAC1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea
SMILESO=C(NCc1ccc(Br)cc1)Nc1cccc2cc[nH]c12
InChIInChI=1S/C16H14BrN3O/c17-13-6-4-11(5-7-13)10-19-16(21)20-14-3-1-2-12-8-9-18-15(12)14/h1-9,18H,10H2,(H2,19,20,21)
InChIKeyGWLTVPAUAXYSAB-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.25
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea

1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea (PubChem CID 10172203) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea
PubChem CID10172203
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea
SMILESO=C(NCc1ccc(Br)cc1)Nc1cccc2cc[nH]c12
InChIInChI=1S/C16H14BrN3O/c17-13-6-4-11(5-7-13)10-19-16(21)20-14-3-1-2-12-8-9-18-15(12)14/h1-9,18H,10H2,(H2,19,20,21)
InChIKeyGWLTVPAUAXYSAB-UHFFFAOYSA-N
XLogP4.25
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864
N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide
CID 166221820
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea
CID 167899859
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
CID 108889261
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
CID 11820554
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
CID 15645616
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
butyl 2-[(4-bromophenyl)methylcarbamoylamino]benzoate
CID 108899421

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea (CID 10172203) is 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea is O=C(NCc1ccc(Br)cc1)Nc1cccc2cc[nH]c12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea?
The InChIKey is GWLTVPAUAXYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-6-4-11(5-7-13)10-19-16(21)20-14-3-1-2-12-8-9-18-15(12)14/h1-9,18H,10H2,(H2,19,20,21).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea?
1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea has a molecular weight of 344.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea is sourced from PubChem (CID 10172203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).