2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide

C18H21FN2O — CID 167484844

IUPAC2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide
SMILESCNc1cccc(N(CC(C)C)C(=O)c2ccccc2F)c1
InChIInChI=1S/C18H21FN2O/c1-13(2)12-21(15-8-6-7-14(11-15)20-3)18(22)16-9-4-5-10-17(16)19/h4-11,13,20H,12H2,1-3H3
InChIKeyRYYAJBFNVYRSIT-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.17
Rot. Bonds5

About 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide

2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide (PubChem CID 167484844) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide
PubChem CID167484844
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide
SMILESCNc1cccc(N(CC(C)C)C(=O)c2ccccc2F)c1
InChIInChI=1S/C18H21FN2O/c1-13(2)12-21(15-8-6-7-14(11-15)20-3)18(22)16-9-4-5-10-17(16)19/h4-11,13,20H,12H2,1-3H3
InChIKeyRYYAJBFNVYRSIT-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide
CID 167484600
N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
CID 67278413
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
N-[3-[cyanomethyl(methyl)amino]phenyl]-2-fluoro-4-[3-[N-(2-fluorobenzoyl)-3-(1H-1,2,4-triazol-5-ylmethylamino)anilino]-2-methylpropyl]-N-(2-methylpropyl)benzamide
CID 167484744
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-(cyanomethyl)-2-fluoro-N-phenylbenzamide
CID 82131953
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide
CID 167484906
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 4825513
3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996551

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide (CID 167484844) is 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide is CNc1cccc(N(CC(C)C)C(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide?
The InChIKey is RYYAJBFNVYRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13(2)12-21(15-8-6-7-14(11-15)20-3)18(22)16-9-4-5-10-17(16)19/h4-11,13,20H,12H2,1-3H3.
What are the key properties of 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide?
2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 167484844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).