N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide

C20H24ClN3O2 — CID 54831351

IUPACN-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C20H24ClN3O2/c1-4-5-19(25)23-15-7-8-16(21)18(11-15)22-12-20(26)24-17-9-6-13(2)10-14(17)3/h6-11,22H,4-5,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIJZVSIBXWAIGDW-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.75
Rot. Bonds7

About N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54831351) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54831351
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C20H24ClN3O2/c1-4-5-19(25)23-15-7-8-16(21)18(11-15)22-12-20(26)24-17-9-6-13(2)10-14(17)3/h6-11,22H,4-5,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIJZVSIBXWAIGDW-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]butanamide
CID 54830975
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
N-[4-chloro-3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 112800272
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide (CID 54831351) is N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is IJZVSIBXWAIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-5-19(25)23-15-7-8-16(21)18(11-15)22-12-20(26)24-17-9-6-13(2)10-14(17)3/h6-11,22H,4-5,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 373.88 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54831351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).