N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide

C19H22FN3O2 — CID 54834084

IUPACN-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O2/c1-2-3-11-21-19(25)14-7-6-8-15(12-14)22-13-18(24)23-17-10-5-4-9-16(17)20/h4-10,12,22H,2-3,11,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyGBZXQHPXPQIGQT-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.41
Rot. Bonds8

About N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide

N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54834084) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
PubChem CID54834084
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O2/c1-2-3-11-21-19(25)14-7-6-8-15(12-14)22-13-18(24)23-17-10-5-4-9-16(17)20/h4-10,12,22H,2-3,11,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyGBZXQHPXPQIGQT-UHFFFAOYSA-N
XLogP3.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide (CID 54834084) is N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is GBZXQHPXPQIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-3-11-21-19(25)14-7-6-8-15(12-14)22-13-18(24)23-17-10-5-4-9-16(17)20/h4-10,12,22H,2-3,11,13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).