1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide

C14H17ClFN3O2 — CID 107990513

IUPAC1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H17ClFN3O2/c1-2-18-13(20)12-8-17-5-6-19(12)14(21)9-3-4-10(15)11(16)7-9/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,18,20)
InChIKeyXGILNVXFTQKVAM-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide

1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide (PubChem CID 107990513) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
PubChem CID107990513
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H17ClFN3O2/c1-2-18-13(20)12-8-17-5-6-19(12)14(21)9-3-4-10(15)11(16)7-9/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,18,20)
InChIKeyXGILNVXFTQKVAM-UHFFFAOYSA-N
XLogP1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194
N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 66334816
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide (CID 107990513) is 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is XGILNVXFTQKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c1-2-18-13(20)12-8-17-5-6-19(12)14(21)9-3-4-10(15)11(16)7-9/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,18,20).
What are the key properties of 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide?
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 313.76 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 107990513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).