N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide

C16H18ClN3O — CID 43679077

IUPACN-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(C)c2ccccn2)c1
InChIInChI=1S/C16H18ClN3O/c1-3-16(21)20-12-7-8-13(17)15(10-12)19-11(2)14-6-4-5-9-18-14/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyJKEZYCBETDNCMG-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.26
Rot. Bonds5

About N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide

N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide (PubChem CID 43679077) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide
PubChem CID43679077
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(C)c2ccccn2)c1
InChIInChI=1S/C16H18ClN3O/c1-3-16(21)20-12-7-8-13(17)15(10-12)19-11(2)14-6-4-5-9-18-14/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyJKEZYCBETDNCMG-UHFFFAOYSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
N-(2-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406571
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide (CID 43679077) is N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NC(C)c2ccccn2)c1.
What is the InChIKey of N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide?
The InChIKey is JKEZYCBETDNCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-16(21)20-12-7-8-13(17)15(10-12)19-11(2)14-6-4-5-9-18-14/h4-11,19H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide?
N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide is sourced from PubChem (CID 43679077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).