N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide

C14H16FN3O — CID 55039179

IUPACN-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cccn2C)ccc1F
InChIInChI=1S/C14H16FN3O/c1-10(19)17-14-8-11(5-6-13(14)15)16-9-12-4-3-7-18(12)2/h3-8,16H,9H2,1-2H3,(H,17,19)
InChIKeyQCMQZROBIOIFRX-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.73
Rot. Bonds4

About N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide

N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide (PubChem CID 55039179) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
PubChem CID55039179
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cccn2C)ccc1F
InChIInChI=1S/C14H16FN3O/c1-10(19)17-14-8-11(5-6-13(14)15)16-9-12-4-3-7-18(12)2/h3-8,16H,9H2,1-2H3,(H,17,19)
InChIKeyQCMQZROBIOIFRX-UHFFFAOYSA-N
XLogP2.73
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea
CID 62131330
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide (CID 55039179) is N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2cccn2C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide?
The InChIKey is QCMQZROBIOIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10(19)17-14-8-11(5-6-13(14)15)16-9-12-4-3-7-18(12)2/h3-8,16H,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide?
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide has a molecular weight of 261.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 55039179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).