4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide

C20H21ClFN3O2 — CID 47092976

IUPAC4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C20H21ClFN3O2/c21-15-5-3-14(4-6-15)20(27)23-8-7-19(26)24-17-11-16(22)12-18(13-17)25-9-1-2-10-25/h3-6,11-13H,1-2,7-10H2,(H,23,27)(H,24,26)
InChIKeyYRIPVKVYDQZLND-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.84
Rot. Bonds6

About 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide

4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide (PubChem CID 47092976) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide
PubChem CID47092976
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C20H21ClFN3O2/c21-15-5-3-14(4-6-15)20(27)23-8-7-19(26)24-17-11-16(22)12-18(13-17)25-9-1-2-10-25/h3-6,11-13H,1-2,7-10H2,(H,23,27)(H,24,26)
InChIKeyYRIPVKVYDQZLND-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide
CID 138042070
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide (CID 47092976) is 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide?
The InChIKey is YRIPVKVYDQZLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-15-5-3-14(4-6-15)20(27)23-8-7-19(26)24-17-11-16(22)12-18(13-17)25-9-1-2-10-25/h3-6,11-13H,1-2,7-10H2,(H,23,27)(H,24,26).
What are the key properties of 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide has a molecular weight of 389.86 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-fluoro-5-pyrrolidin-1-ylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 47092976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).