3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide

C17H18ClFN2O — CID 86891133

IUPAC3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide
SMILESNC(=O)CCN(CCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c18-16-4-2-1-3-13(16)9-11-21(12-10-17(20)22)15-7-5-14(19)6-8-15/h1-8H,9-12H2,(H2,20,22)
InChIKeyPITHTOPPDKKINS-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.40
Rot. Bonds7

About 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide

3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide (PubChem CID 86891133) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide.

Molecular Properties

Compound Name3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide
PubChem CID86891133
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide
SMILESNC(=O)CCN(CCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c18-16-4-2-1-3-13(16)9-11-21(12-10-17(20)22)15-7-5-14(19)6-8-15/h1-8H,9-12H2,(H2,20,22)
InChIKeyPITHTOPPDKKINS-UHFFFAOYSA-N
XLogP3.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]anilino]propanamide
CID 86891137
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 37323341
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
carbamoyl 3-(2-chlorophenyl)propanoate
CID 174469529
1-[(2-chlorophenyl)methylamino]-1-(4-fluorophenyl)thiourea
CID 175346642
3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
CID 111448247
3-(N-butylanilino)propanamide
CID 63172183
N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 5046891
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
3-[N-[(3-chloro-2-fluorophenyl)methyl]anilino]propanimidamide
CID 102856088

Frequently Asked Questions

What is the IUPAC name of 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide?
The IUPAC name of 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide (CID 86891133) is 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide.
What is the SMILES notation for 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide?
The canonical SMILES for 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide is NC(=O)CCN(CCc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide?
The InChIKey is PITHTOPPDKKINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c18-16-4-2-1-3-13(16)9-11-21(12-10-17(20)22)15-7-5-14(19)6-8-15/h1-8H,9-12H2,(H2,20,22).
What are the key properties of 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide?
3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[2-(2-chlorophenyl)ethyl]-4-fluoroanilino]propanamide is sourced from PubChem (CID 86891133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).