N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide

C19H22ClN3O2 — CID 54833658

IUPACN-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-13(2)22-19(25)14-5-4-6-17(11-14)21-12-18(24)23-16-9-7-15(20)8-10-16/h4-11,13,21H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyADEUOEGFZWXBIF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.92
Rot. Bonds7

About N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide

N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54833658) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
PubChem CID54833658
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-13(2)22-19(25)14-5-4-6-17(11-14)21-12-18(24)23-16-9-7-15(20)8-10-16/h4-11,13,21H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyADEUOEGFZWXBIF-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
CID 54810789
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide (CID 54833658) is N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is ADEUOEGFZWXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-13(2)22-19(25)14-5-4-6-17(11-14)21-12-18(24)23-16-9-7-15(20)8-10-16/h4-11,13,21H,3,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.92, 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-(4-chloroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54833658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).