7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid

C14H16Cl2N2O4 — CID 18426773

IUPAC7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid
SMILESNC(=O)CCC(CCC(=O)O)(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c15-9-2-1-8(7-10(9)16)14(13(18)22,5-3-11(17)19)6-4-12(20)21/h1-2,7H,3-6H2,(H2,17,19)(H2,18,22)(H,20,21)
InChIKeyHGRPCIWLWYZXQN-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.85
Rot. Bonds8

About 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid

7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid (PubChem CID 18426773) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid
PubChem CID18426773
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid
SMILESNC(=O)CCC(CCC(=O)O)(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c15-9-2-1-8(7-10(9)16)14(13(18)22,5-3-11(17)19)6-4-12(20)21/h1-2,7H,3-6H2,(H2,17,19)(H2,18,22)(H,20,21)
InChIKeyHGRPCIWLWYZXQN-UHFFFAOYSA-N
XLogP1.85
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid?
The IUPAC name of 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid (CID 18426773) is 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid.
What is the SMILES notation for 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid?
The canonical SMILES for 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid is NC(=O)CCC(CCC(=O)O)(C(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid?
The InChIKey is HGRPCIWLWYZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c15-9-2-1-8(7-10(9)16)14(13(18)22,5-3-11(17)19)6-4-12(20)21/h1-2,7H,3-6H2,(H2,17,19)(H2,18,22)(H,20,21).
What are the key properties of 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid?
7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid has a molecular weight of 347.20 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-carbamoyl-4-(3,4-dichlorophenyl)-7-oxoheptanoic acid is sourced from PubChem (CID 18426773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).