N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide

C14H18Cl2N2OS — CID 119566240

IUPACN-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NC2(CN)CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-20-12-6-9(10(15)7-11(12)16)13(19)18-14(8-17)4-2-3-5-14/h6-7H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyDTFRPSCRGMMGNR-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide

N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide (PubChem CID 119566240) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
PubChem CID119566240
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NC2(CN)CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-20-12-6-9(10(15)7-11(12)16)13(19)18-14(8-17)4-2-3-5-14/h6-7H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyDTFRPSCRGMMGNR-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide 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-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
CID 79217970
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119996337
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119565199
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679
2,4-dichloro-N-[3-(methylamino)propyl]-5-methylsulfanylbenzamide
CID 119431280
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide (CID 119566240) is N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide is CSc1cc(C(=O)NC2(CN)CCCC2)c(Cl)cc1Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide?
The InChIKey is DTFRPSCRGMMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-20-12-6-9(10(15)7-11(12)16)13(19)18-14(8-17)4-2-3-5-14/h6-7H,2-5,8,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide has a molecular weight of 333.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 119566240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).