N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide

C19H21ClFN3O2 — CID 54818355

IUPACN-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-3-12(2)23-19(26)13-4-6-14(7-5-13)24-18(25)11-22-15-8-9-17(21)16(20)10-15/h4-10,12,22H,3,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyYRAMRQSMICTISA-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.06
Rot. Bonds7

About N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide

N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide (PubChem CID 54818355) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
PubChem CID54818355
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-3-12(2)23-19(26)13-4-6-14(7-5-13)24-18(25)11-22-15-8-9-17(21)16(20)10-15/h4-10,12,22H,3,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyYRAMRQSMICTISA-UHFFFAOYSA-N
XLogP4.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811803
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide (CID 54818355) is N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide?
The InChIKey is YRAMRQSMICTISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-3-12(2)23-19(26)13-4-6-14(7-5-13)24-18(25)11-22-15-8-9-17(21)16(20)10-15/h4-10,12,22H,3,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide?
N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide has a molecular weight of 377.85 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54818355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).