N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide

C20H23ClN4O3 — CID 54809248

IUPACN-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H23ClN4O3/c1-3-4-19(27)24-16-9-10-17(21)18(11-16)25-20(28)12-22-14-5-7-15(8-6-14)23-13(2)26/h5-11,22H,3-4,12H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyVMHOBRIYECGSFC-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.09
Rot. Bonds8

About N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide

N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide (PubChem CID 54809248) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
PubChem CID54809248
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H23ClN4O3/c1-3-4-19(27)24-16-9-10-17(21)18(11-16)25-20(28)12-22-14-5-7-15(8-6-14)23-13(2)26/h5-11,22H,3-4,12H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyVMHOBRIYECGSFC-UHFFFAOYSA-N
XLogP4.09
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834442
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834192
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
4-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-methylbenzamide
CID 54831238
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide (CID 54809248) is N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
The InChIKey is VMHOBRIYECGSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-3-4-19(27)24-16-9-10-17(21)18(11-16)25-20(28)12-22-14-5-7-15(8-6-14)23-13(2)26/h5-11,22H,3-4,12H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide?
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide has a molecular weight of 402.88 g/mol, XLogP of 4.09, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 54809248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).