N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide

C18H19Cl2N3O2 — CID 54830652

IUPACN-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-4-17(24)22-14-6-3-5-13(10-14)21-11-18(25)23-16-9-12(19)7-8-15(16)20/h3,5-10,21H,2,4,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyUUBOIPVNGARWMA-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.78
Rot. Bonds7

About N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide

N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54830652) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54830652
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-4-17(24)22-14-6-3-5-13(10-14)21-11-18(25)23-16-9-12(19)7-8-15(16)20/h3,5-10,21H,2,4,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyUUBOIPVNGARWMA-UHFFFAOYSA-N
XLogP4.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839125
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837359
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54819617
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54819419
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
N-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)acetamide
CID 54813314

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide (CID 54830652) is N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is UUBOIPVNGARWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-4-17(24)22-14-6-3-5-13(10-14)21-11-18(25)23-16-9-12(19)7-8-15(16)20/h3,5-10,21H,2,4,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide?
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 380.28 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54830652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).