N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide

C23H27ClN4O3 — CID 54834192

IUPACN-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H27ClN4O3/c1-2-5-21(29)26-18-10-11-19(24)20(14-18)27-22(30)15-25-17-8-6-16(7-9-17)23(31)28-12-3-4-13-28/h6-11,14,25H,2-5,12-13,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyLBMOEXWAMLEAOY-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.37
Rot. Bonds8

About N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54834192) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54834192
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H27ClN4O3/c1-2-5-21(29)26-18-10-11-19(24)20(14-18)27-22(30)15-25-17-8-6-16(7-9-17)23(31)28-12-3-4-13-28/h6-11,14,25H,2-5,12-13,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyLBMOEXWAMLEAOY-UHFFFAOYSA-N
XLogP4.37
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
N-(3,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834153
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834442
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide (CID 54834192) is N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is LBMOEXWAMLEAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-2-5-21(29)26-18-10-11-19(24)20(14-18)27-22(30)15-25-17-8-6-16(7-9-17)23(31)28-12-3-4-13-28/h6-11,14,25H,2-5,12-13,15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 442.95 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54834192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).