4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide

C15H14ClFN2O — CID 107528464

IUPAC4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
SMILESNCCc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-6-5-12(17)9-14(13)19-15(20)11-3-1-10(2-4-11)7-8-18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyHTTQKEUJOZXJLS-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.23
Rot. Bonds4

About 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide

4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide (PubChem CID 107528464) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
PubChem CID107528464
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
SMILESNCCc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-6-5-12(17)9-14(13)19-15(20)11-3-1-10(2-4-11)7-8-18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyHTTQKEUJOZXJLS-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
CID 43333434
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65468967
N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005558
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201
N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide (CID 107528464) is 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide is NCCc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide?
The InChIKey is HTTQKEUJOZXJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-6-5-12(17)9-14(13)19-15(20)11-3-1-10(2-4-11)7-8-18/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide?
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide has a molecular weight of 292.74 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide is sourced from PubChem (CID 107528464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).