N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide

C18H21FN2O2 — CID 119997586

IUPACN-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(C)CN)c(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c1-12(10-20)11-21-18(22)16-8-5-14(9-17(16)19)13-3-6-15(23-2)7-4-13/h3-9,12H,10-11,20H2,1-2H3,(H,21,22)
InChIKeySBALRXFSVLDWDQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.83
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide

N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide (PubChem CID 119997586) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
PubChem CID119997586
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(C)CN)c(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c1-12(10-20)11-21-18(22)16-8-5-14(9-17(16)19)13-3-6-15(23-2)7-4-13/h3-9,12H,10-11,20H2,1-2H3,(H,21,22)
InChIKeySBALRXFSVLDWDQ-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119997585
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119523732
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828496
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
CID 167941997
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119574595

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide (CID 119997586) is N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide is COc1ccc(-c2ccc(C(=O)NCC(C)CN)c(F)c2)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide?
The InChIKey is SBALRXFSVLDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(10-20)11-21-18(22)16-8-5-14(9-17(16)19)13-3-6-15(23-2)7-4-13/h3-9,12H,10-11,20H2,1-2H3,(H,21,22).
What are the key properties of N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide?
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 119997586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).