methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate

C16H14BrFN2O3 — CID 60578589

IUPACmethyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrFN2O3/c1-20(16(22)23-2)12-6-4-11(5-7-12)19-15(21)13-8-3-10(17)9-14(13)18/h3-9H,1-2H3,(H,19,21)
InChIKeyAXVCQVPBJMHCRR-UHFFFAOYSA-N
MW381.20 g/mol
LogP4.04
Rot. Bonds3

About methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate

methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate (PubChem CID 60578589) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate
PubChem CID60578589
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Namemethyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrFN2O3/c1-20(16(22)23-2)12-6-4-11(5-7-12)19-15(21)13-8-3-10(17)9-14(13)18/h3-9H,1-2H3,(H,19,21)
InChIKeyAXVCQVPBJMHCRR-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
CID 79713794
methyl N-[4-[(5-chloro-2-nitrobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578817
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
CID 60811844
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate (CID 60578589) is methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1.
What is the InChIKey of methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate?
The InChIKey is AXVCQVPBJMHCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-20(16(22)23-2)12-6-4-11(5-7-12)19-15(21)13-8-3-10(17)9-14(13)18/h3-9H,1-2H3,(H,19,21).
What are the key properties of methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate?
methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate has a molecular weight of 381.20 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 60578589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).