N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide

C14H18BrClN2O — CID 114429344

IUPACN-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O/c1-2-9-5-6-17-13(7-9)14(19)18-12-8-10(16)3-4-11(12)15/h3-4,8-9,13,17H,2,5-7H2,1H3,(H,18,19)
InChIKeyMUUCMJGFWWEHCU-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.82
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide

N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114429344) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
PubChem CID114429344
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O/c1-2-9-5-6-17-13(7-9)14(19)18-12-8-10(16)3-4-11(12)15/h3-4,8-9,13,17H,2,5-7H2,1H3,(H,18,19)
InChIKeyMUUCMJGFWWEHCU-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
4-bromo-2-[(4-ethylpiperidine-2-carbonyl)amino]benzoic acid
CID 114428674
3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 114428301
N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428835
4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
CID 114428072
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
4-ethyl-N-(2-methoxyphenyl)piperidine-2-carboxamide
CID 114427816
2-[(4-ethylpiperidine-2-carbonyl)amino]-5-iodobenzoic acid
CID 114428983
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide (CID 114429344) is N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2cc(Cl)ccc2Br)C1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is MUUCMJGFWWEHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-9-5-6-17-13(7-9)14(19)18-12-8-10(16)3-4-11(12)15/h3-4,8-9,13,17H,2,5-7H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114429344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).