N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide

C15H16FN3O — CID 95475534

IUPACN-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(F)cc2CN)c1
InChIInChI=1S/C15H16FN3O/c1-10(20)18-13-3-2-4-14(8-13)19-15-6-5-12(16)7-11(15)9-17/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyXFBSCKUSSDBSFM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.99
Rot. Bonds4

About N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide

N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide (PubChem CID 95475534) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide
PubChem CID95475534
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(F)cc2CN)c1
InChIInChI=1S/C15H16FN3O/c1-10(20)18-13-3-2-4-14(8-13)19-15-6-5-12(16)7-11(15)9-17/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyXFBSCKUSSDBSFM-UHFFFAOYSA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
2-(3-acetamidoanilino)-5-methylbenzoic acid
CID 62515495
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide (CID 95475534) is N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ccc(F)cc2CN)c1.
What is the InChIKey of N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide?
The InChIKey is XFBSCKUSSDBSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(20)18-13-3-2-4-14(8-13)19-15-6-5-12(16)7-11(15)9-17/h2-8,19H,9,17H2,1H3,(H,18,20).
What are the key properties of N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide?
N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide is sourced from PubChem (CID 95475534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).