N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide

C15H14FN3O2 — CID 62513164

IUPACN-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C15H14FN3O2/c1-9-5-6-13(16)12(7-9)14(20)18-10-3-2-4-11(8-10)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyKEZRKIMEQMPLGN-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.88
Rot. Bonds3

About N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide

N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide (PubChem CID 62513164) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
PubChem CID62513164
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C15H14FN3O2/c1-9-5-6-13(16)12(7-9)14(20)18-10-3-2-4-11(8-10)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyKEZRKIMEQMPLGN-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide (CID 62513164) is N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cccc(NC(N)=O)c2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide?
The InChIKey is KEZRKIMEQMPLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-5-6-13(16)12(7-9)14(20)18-10-3-2-4-11(8-10)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide?
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62513164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).