N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide

C20H24ClN3O2 — CID 54819366

IUPACN-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C20H24ClN3O2/c1-4-14(3)23-20(26)15-6-5-7-17(10-15)24-19(25)12-22-18-11-16(21)9-8-13(18)2/h5-11,14,22H,4,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyHTGFGYYRDPOJKP-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.23
Rot. Bonds7

About N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide

N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide (PubChem CID 54819366) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
PubChem CID54819366
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C20H24ClN3O2/c1-4-14(3)23-20(26)15-6-5-7-17(10-15)24-19(25)12-22-18-11-16(21)9-8-13(18)2/h5-11,14,22H,4,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyHTGFGYYRDPOJKP-UHFFFAOYSA-N
XLogP4.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
CID 54810789
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide (CID 54819366) is N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide?
The InChIKey is HTGFGYYRDPOJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-14(3)23-20(26)15-6-5-7-17(10-15)24-19(25)12-22-18-11-16(21)9-8-13(18)2/h5-11,14,22H,4,12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide has a molecular weight of 373.88 g/mol, XLogP of 4.23, 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-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54819366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).