5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride

C18H20Cl2FN3O2S — CID 119426407

IUPAC5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H19ClFN3O2S.ClH/c1-10-7-15(23-17(24)13-5-4-11(20)8-14(13)19)26-16(10)18(25)22-12-3-2-6-21-9-12;/h4-5,7-8,12,21H,2-3,6,9H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyDHDYJRZNHMMHKG-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.00
Rot. Bonds4

About 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119426407) has the molecular formula C18H20Cl2FN3O2S and a molecular weight of 432.35 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119426407
Molecular FormulaC18H20Cl2FN3O2S
Molecular Weight432.35 g/mol
Exact Mass431.06
IUPAC Name5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H19ClFN3O2S.ClH/c1-10-7-15(23-17(24)13-5-4-11(20)8-14(13)19)26-16(10)18(25)22-12-3-2-6-21-9-12;/h4-5,7-8,12,21H,2-3,6,9H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyDHDYJRZNHMMHKG-UHFFFAOYSA-N
XLogP4.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
5-[(2-chloro-4-fluorobenzoyl)amino]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 112834232
tert-butyl N-[1-[5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]piperidin-4-yl]carbamate
CID 55868367
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide
CID 119506730
2-chloro-4-fluoro-N-[4-methyl-5-[(1H-pyrrole-2-carbonylamino)carbamoyl]thiophen-2-yl]benzamide
CID 78887621
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(4-chlorophenoxy)ethyl]-3-methylthiophene-2-carboxamide
CID 55729508
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 56560758
2-chloro-N-[5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]-4-fluorobenzamide
CID 55873977
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
CID 55789182
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
5-[(2-chloro-4-fluorobenzoyl)amino]-N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 55728531

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119426407) is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride is Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is DHDYJRZNHMMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2S.ClH/c1-10-7-15(23-17(24)13-5-4-11(20)8-14(13)19)26-16(10)18(25)22-12-3-2-6-21-9-12;/h4-5,7-8,12,21H,2-3,6,9H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 432.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119426407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).