N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide

C19H21Cl2N3O2 — CID 54810789

IUPACN-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-12(2)23-19(26)13-5-4-6-15(9-13)24-18(25)11-22-17-8-7-14(20)10-16(17)21/h4-10,12,22H,3,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyDZPDPBVVDLRVTJ-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.57
Rot. Bonds7

About N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide

N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide (PubChem CID 54810789) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
PubChem CID54810789
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-12(2)23-19(26)13-5-4-6-15(9-13)24-18(25)11-22-17-8-7-14(20)10-16(17)21/h4-10,12,22H,3,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyDZPDPBVVDLRVTJ-UHFFFAOYSA-N
XLogP4.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
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-(2,4-dichloroanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide (CID 54810789) is N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide?
The InChIKey is DZPDPBVVDLRVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-3-12(2)23-19(26)13-5-4-6-15(9-13)24-18(25)11-22-17-8-7-14(20)10-16(17)21/h4-10,12,22H,3,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.57, 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-(2,4-dichloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).