1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea

C14H9BrClF3N2O — CID 17300332

IUPAC1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9BrClF3N2O/c15-9-2-4-10(5-3-9)20-13(22)21-12-7-8(14(17,18)19)1-6-11(12)16/h1-7H,(H2,20,21,22)
InChIKeyQQGFVKUMBPEXAX-UHFFFAOYSA-N
MW393.59 g/mol
LogP5.77
Rot. Bonds2

About 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea

1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea (PubChem CID 17300332) has the molecular formula C14H9BrClF3N2O and a molecular weight of 393.59 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
PubChem CID17300332
Molecular FormulaC14H9BrClF3N2O
Molecular Weight393.59 g/mol
Exact Mass391.95
IUPAC Name1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9BrClF3N2O/c15-9-2-4-10(5-3-9)20-13(22)21-12-7-8(14(17,18)19)1-6-11(12)16/h1-7H,(H2,20,21,22)
InChIKeyQQGFVKUMBPEXAX-UHFFFAOYSA-N
XLogP5.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.59
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-[1-(4-bromophenyl)ethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 3379513
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 17265299
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 124551745
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54162775
2-[2-[(4-bromophenyl)carbamoylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15291672
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
2,3-dibromo-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]propanamide
CID 21423298

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea (CID 17300332) is 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is QQGFVKUMBPEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3N2O/c15-9-2-4-10(5-3-9)20-13(22)21-12-7-8(14(17,18)19)1-6-11(12)16/h1-7H,(H2,20,21,22).
What are the key properties of 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea?
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 393.59 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 17300332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).