N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide

C18H19ClFN3O2S — CID 119374606

IUPACN-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C18H19ClFN3O2S/c1-10-8-15(22-17(24)13-3-2-11(20)9-14(13)19)26-16(10)18(25)23-6-4-12(21)5-7-23/h2-3,8-9,12H,4-7,21H2,1H3,(H,22,24)
InChIKeyBQCFJYYHUJUCRG-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.66
Rot. Bonds3

About N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide

N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide (PubChem CID 119374606) has the molecular formula C18H19ClFN3O2S and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide
PubChem CID119374606
Molecular FormulaC18H19ClFN3O2S
Molecular Weight395.89 g/mol
Exact Mass395.09
IUPAC NameN-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C18H19ClFN3O2S/c1-10-8-15(22-17(24)13-3-2-11(20)9-14(13)19)26-16(10)18(25)23-6-4-12(21)5-7-23/h2-3,8-9,12H,4-7,21H2,1H3,(H,22,24)
InChIKeyBQCFJYYHUJUCRG-UHFFFAOYSA-N
XLogP3.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]piperidin-4-yl]carbamate
CID 55868367
2-chloro-N-[5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]-4-fluorobenzamide
CID 55873977
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119375637
2-chloro-4-fluoro-N-[4-methyl-5-[4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55789096
2-chloro-4-fluoro-N-[4-methyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55921870
5-[(2-chloro-4-fluorobenzoyl)amino]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 112834232
N-[5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119412139
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119426407
2-chloro-N-[5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-4-methylthiophen-2-yl]-4-fluorobenzamide
CID 55875363
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 120819291
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 56560758

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide (CID 119374606) is N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide is Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC(N)CC1.
What is the InChIKey of N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide?
The InChIKey is BQCFJYYHUJUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2S/c1-10-8-15(22-17(24)13-3-2-11(20)9-14(13)19)26-16(10)18(25)23-6-4-12(21)5-7-23/h2-3,8-9,12H,4-7,21H2,1H3,(H,22,24).
What are the key properties of N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide?
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide has a molecular weight of 395.89 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 119374606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).