2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide

C12H16ClFN2O — CID 107528482

IUPAC2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-2-3-8(7-15)12(17)16-11-6-9(14)4-5-10(11)13/h4-6,8H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyPAHQFIUZQRNXFF-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.79
Rot. Bonds5

About 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide

2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide (PubChem CID 107528482) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
PubChem CID107528482
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-2-3-8(7-15)12(17)16-11-6-9(14)4-5-10(11)13/h4-6,8H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyPAHQFIUZQRNXFF-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
4-fluoro-2-(2-propylpentanoylamino)benzoic acid
CID 82984973
N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide
CID 82984602
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459
3-(aminomethyl)-1-(2-chloro-4-fluorophenyl)hexan-2-one
CID 116574566
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
3-[2-(aminomethyl)pentanoylamino]-4-fluorobenzoic acid
CID 65225321
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide (CID 107528482) is 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide is CCCC(CN)C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide?
The InChIKey is PAHQFIUZQRNXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-2-3-8(7-15)12(17)16-11-6-9(14)4-5-10(11)13/h4-6,8H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide?
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide has a molecular weight of 258.72 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide is sourced from PubChem (CID 107528482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).