7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide

C17H26ClN3O2 — CID 119762063

IUPAC7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)CCCCCCN
InChIInChI=1S/C17H26ClN3O2/c1-13-14(18)7-6-8-15(13)21-17(23)10-12-20-16(22)9-4-2-3-5-11-19/h6-8H,2-5,9-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyPLZUDNBFZRRMEA-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.00
Rot. Bonds10

About 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide

7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide (PubChem CID 119762063) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
PubChem CID119762063
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)CCCCCCN
InChIInChI=1S/C17H26ClN3O2/c1-13-14(18)7-6-8-15(13)21-17(23)10-12-20-16(22)9-4-2-3-5-11-19/h6-8H,2-5,9-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyPLZUDNBFZRRMEA-UHFFFAOYSA-N
XLogP3.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.00
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

6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
N-(3-chloro-2-methylphenyl)-3-[(N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 110927766
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119762097

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide (CID 119762063) is 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide is Cc1c(Cl)cccc1NC(=O)CCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide?
The InChIKey is PLZUDNBFZRRMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13-14(18)7-6-8-15(13)21-17(23)10-12-20-16(22)9-4-2-3-5-11-19/h6-8H,2-5,9-12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide?
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide has a molecular weight of 339.87 g/mol, XLogP of 3.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide is sourced from PubChem (CID 119762063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).