5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid

C14H16Cl2N2O4 — CID 119234912

IUPAC5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c15-10-5-4-9(7-11(10)16)14(22)18-8-12(19)17-6-2-1-3-13(20)21/h4-5,7H,1-3,6,8H2,(H,17,19)(H,18,22)(H,20,21)
InChIKeyKMCRVJQDWDDUCX-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.09
Rot. Bonds8

About 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid

5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid (PubChem CID 119234912) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
PubChem CID119234912
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c15-10-5-4-9(7-11(10)16)14(22)18-8-12(19)17-6-2-1-3-13(20)21/h4-5,7H,1-3,6,8H2,(H,17,19)(H,18,22)(H,20,21)
InChIKeyKMCRVJQDWDDUCX-UHFFFAOYSA-N
XLogP2.09
TPSA95.50 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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
6-[(4-chloro-3-nitrobenzoyl)amino]hexanoic acid
CID 103602649
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid (CID 119234912) is 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is KMCRVJQDWDDUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c15-10-5-4-9(7-11(10)16)14(22)18-8-12(19)17-6-2-1-3-13(20)21/h4-5,7H,1-3,6,8H2,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid?
5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 347.20 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 119234912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).