N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide

C16H17FN2O2 — CID 65433013

IUPACN-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(CCN)cc1
InChIInChI=1S/C16H17FN2O2/c1-21-14-4-2-3-13(17)15(14)16(20)19-12-7-5-11(6-8-12)9-10-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyCDQCSFRIHDNPDR-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.59
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide

N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide (PubChem CID 65433013) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
PubChem CID65433013
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(CCN)cc1
InChIInChI=1S/C16H17FN2O2/c1-21-14-4-2-3-13(17)15(14)16(20)19-12-7-5-11(6-8-12)9-10-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyCDQCSFRIHDNPDR-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477
N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434404
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
CID 75381688
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide (CID 65433013) is N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1ccc(CCN)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is CDQCSFRIHDNPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-14-4-2-3-13(17)15(14)16(20)19-12-7-5-11(6-8-12)9-10-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide?
N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65433013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).