N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide

C14H18Cl2N2O2 — CID 47286286

IUPACN-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
SMILESNC(=O)CCCNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-6-10(9-12(11)16)3-1-5-14(20)18-8-2-4-13(17)19/h6-7,9H,1-5,8H2,(H2,17,19)(H,18,20)
InChIKeyLWWKMQGSESIBAR-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.70
Rot. Bonds8

About N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide

N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide (PubChem CID 47286286) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
PubChem CID47286286
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
SMILESNC(=O)CCCNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-6-10(9-12(11)16)3-1-5-14(20)18-8-2-4-13(17)19/h6-7,9H,1-5,8H2,(H2,17,19)(H,18,20)
InChIKeyLWWKMQGSESIBAR-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dichlorophenyl)butanamide
CID 47319689
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551
4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 55883971
N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
CID 123145328
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dichlorophenyl)butanamide
CID 55833674
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide (CID 47286286) is N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide is NC(=O)CCCNC(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide?
The InChIKey is LWWKMQGSESIBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-7-6-10(9-12(11)16)3-1-5-14(20)18-8-2-4-13(17)19/h6-7,9H,1-5,8H2,(H2,17,19)(H,18,20).
What are the key properties of N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide?
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide has a molecular weight of 317.22 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 47286286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).