N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide

C19H21ClFN3O — CID 9100097

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccccc1N1CCCCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-15-12-14(8-9-16(15)21)23-19(25)13-22-17-6-2-3-7-18(17)24-10-4-1-5-11-24/h2-3,6-9,12,22H,1,4-5,10-11,13H2,(H,23,25)
InChIKeyINLXNKQULFZCIU-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.52
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide (PubChem CID 9100097) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
PubChem CID9100097
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccccc1N1CCCCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-15-12-14(8-9-16(15)21)23-19(25)13-22-17-6-2-3-7-18(17)24-10-4-1-5-11-24/h2-3,6-9,12,22H,1,4-5,10-11,13H2,(H,23,25)
InChIKeyINLXNKQULFZCIU-UHFFFAOYSA-N
XLogP4.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100145
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
N-benzhydryl-2-(2-piperidin-1-ylanilino)acetamide
CID 9324469
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 60539290

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide (CID 9100097) is N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide is O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The InChIKey is INLXNKQULFZCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-12-14(8-9-16(15)21)23-19(25)13-22-17-6-2-3-7-18(17)24-10-4-1-5-11-24/h2-3,6-9,12,22H,1,4-5,10-11,13H2,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide has a molecular weight of 361.85 g/mol, XLogP of 4.52, 5 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)-2-(2-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 9100097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).