N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide

C15H22ClN3O2 — CID 39193099

IUPACN-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCN)c1
InChIInChI=1S/C15H22ClN3O2/c1-2-3-5-14(20)18-11-7-8-12(16)13(10-11)19-15(21)6-4-9-17/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyRSFHHNKSYOBYRA-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.15
Rot. Bonds8

About N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide

N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide (PubChem CID 39193099) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
PubChem CID39193099
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCN)c1
InChIInChI=1S/C15H22ClN3O2/c1-2-3-5-14(20)18-11-7-8-12(16)13(10-11)19-15(21)6-4-9-17/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyRSFHHNKSYOBYRA-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
CID 39193137
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(4-chloro-3-sulfanylphenyl)pentanamide
CID 4713020

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide (CID 39193099) is N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide is CCCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCN)c1.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide?
The InChIKey is RSFHHNKSYOBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-2-3-5-14(20)18-11-7-8-12(16)13(10-11)19-15(21)6-4-9-17/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide?
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide has a molecular weight of 311.81 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide is sourced from PubChem (CID 39193099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).