N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide

C23H28ClN3O4 — CID 54829442

IUPACN-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H28ClN3O4/c1-2-6-22(28)26-16-10-11-18(24)20(13-16)27-23(29)14-25-19-8-3-4-9-21(19)31-15-17-7-5-12-30-17/h3-4,8-11,13,17,25H,2,5-7,12,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyQDYZCWFQSXHTSG-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.69
Rot. Bonds10

About N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54829442) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54829442
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC NameN-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H28ClN3O4/c1-2-6-22(28)26-16-10-11-18(24)20(13-16)27-23(29)14-25-19-8-3-4-9-21(19)31-15-17-7-5-12-30-17/h3-4,8-11,13,17,25H,2,5-7,12,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyQDYZCWFQSXHTSG-UHFFFAOYSA-N
XLogP4.69
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54821559
N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222418
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54830953

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide (CID 54829442) is N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is QDYZCWFQSXHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4/c1-2-6-22(28)26-16-10-11-18(24)20(13-16)27-23(29)14-25-19-8-3-4-9-21(19)31-15-17-7-5-12-30-17/h3-4,8-11,13,17,25H,2,5-7,12,14-15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 445.95 g/mol, XLogP of 4.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54829442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).