N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide

C15H13BrFN3O2 — CID 51123900

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C15H13BrFN3O2/c16-11-4-9(5-12(17)7-11)8-19-14(21)10-2-1-3-13(6-10)20-15(18)22/h1-7H,8H2,(H,19,21)(H3,18,20,22)
InChIKeyYKBBFPSSMBNSDI-UHFFFAOYSA-N
MW366.19 g/mol
LogP3.01
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide

N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide (PubChem CID 51123900) has the molecular formula C15H13BrFN3O2 and a molecular weight of 366.19 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide
PubChem CID51123900
Molecular FormulaC15H13BrFN3O2
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C15H13BrFN3O2/c16-11-4-9(5-12(17)7-11)8-19-14(21)10-2-1-3-13(6-10)20-15(18)22/h1-7H,8H2,(H,19,21)(H3,18,20,22)
InChIKeyYKBBFPSSMBNSDI-UHFFFAOYSA-N
XLogP3.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide
CID 119048331
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
3-(carbamoylamino)-N-(2,2-diphenylethyl)benzamide
CID 26313248

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide (CID 51123900) is N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide is NC(=O)Nc1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide?
The InChIKey is YKBBFPSSMBNSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O2/c16-11-4-9(5-12(17)7-11)8-19-14(21)10-2-1-3-13(6-10)20-15(18)22/h1-7H,8H2,(H,19,21)(H3,18,20,22).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide?
N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide has a molecular weight of 366.19 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide is sourced from PubChem (CID 51123900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).