4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide

C14H11BrFN3O2 — CID 33154064

IUPAC4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H11BrFN3O2/c15-8-1-6-11(12(16)7-8)13(20)18-9-2-4-10(5-3-9)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21)
InChIKeyRBFXONJVRUSYRJ-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.33
Rot. Bonds3

About 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide

4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide (PubChem CID 33154064) has the molecular formula C14H11BrFN3O2 and a molecular weight of 352.16 g/mol. Its IUPAC name is 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
PubChem CID33154064
Molecular FormulaC14H11BrFN3O2
Molecular Weight352.16 g/mol
Exact Mass351.00
IUPAC Name4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H11BrFN3O2/c15-8-1-6-11(12(16)7-8)13(20)18-9-2-4-10(5-3-9)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21)
InChIKeyRBFXONJVRUSYRJ-UHFFFAOYSA-N
XLogP3.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
CID 60811844
methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578589
(4-bromophenyl)urea
CID 16074
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide (CID 33154064) is 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide is NC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide?
The InChIKey is RBFXONJVRUSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O2/c15-8-1-6-11(12(16)7-8)13(20)18-9-2-4-10(5-3-9)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21).
What are the key properties of 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide?
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide has a molecular weight of 352.16 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 33154064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).