N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide

C15H15ClFN3O — CID 109023392

IUPACN-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccccn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O/c16-13-9-11(4-5-14(13)17)20-15(21)6-8-18-10-12-3-1-2-7-19-12/h1-5,7,9,18H,6,8,10H2,(H,20,21)
InChIKeyPRSSWXJHVGSGQN-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.99
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide

N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide (PubChem CID 109023392) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
PubChem CID109023392
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccccn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O/c16-13-9-11(4-5-14(13)17)20-15(21)6-8-18-10-12-3-1-2-7-19-12/h1-5,7,9,18H,6,8,10H2,(H,20,21)
InChIKeyPRSSWXJHVGSGQN-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023700
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 47008105
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide (CID 109023392) is N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide is O=C(CCNCc1ccccn1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is PRSSWXJHVGSGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-13-9-11(4-5-14(13)17)20-15(21)6-8-18-10-12-3-1-2-7-19-12/h1-5,7,9,18H,6,8,10H2,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 307.76 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 109023392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).