N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide

C10H10ClFN2OS — CID 62666116

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
SMILESNC(=S)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN2OS/c11-8-5-6(12)1-2-7(8)10(15)14-4-3-9(13)16/h1-2,5H,3-4H2,(H2,13,16)(H,14,15)
InChIKeyCDVQSKAOHVLUCQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.89
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide

N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide (PubChem CID 62666116) has the molecular formula C10H10ClFN2OS and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
PubChem CID62666116
Molecular FormulaC10H10ClFN2OS
Molecular Weight260.72 g/mol
Exact Mass260.02
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
SMILESNC(=S)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN2OS/c11-8-5-6(12)1-2-7(8)10(15)14-4-3-9(13)16/h1-2,5H,3-4H2,(H2,13,16)(H,14,15)
InChIKeyCDVQSKAOHVLUCQ-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
CID 78884701
4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide
CID 49417471
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-4-fluorobenzenecarbothioamide
CID 46779076
3-[2-[(2-chloro-4-fluorobenzoyl)amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 167885696

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide (CID 62666116) is N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide is NC(=S)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide?
The InChIKey is CDVQSKAOHVLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2OS/c11-8-5-6(12)1-2-7(8)10(15)14-4-3-9(13)16/h1-2,5H,3-4H2,(H2,13,16)(H,14,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide?
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide has a molecular weight of 260.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 62666116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).