4-(2-bromoanilino)-1-ethylazepane-4-carboxamide

C15H22BrN3O — CID 65076343

IUPAC4-(2-bromoanilino)-1-ethylazepane-4-carboxamide
SMILESCCN1CCCC(Nc2ccccc2Br)(C(N)=O)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-19-10-5-8-15(9-11-19,14(17)20)18-13-7-4-3-6-12(13)16/h3-4,6-7,18H,2,5,8-11H2,1H3,(H2,17,20)
InChIKeyPAVMTJZXFIJXCJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.59
Rot. Bonds4

About 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide

4-(2-bromoanilino)-1-ethylazepane-4-carboxamide (PubChem CID 65076343) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide.

Molecular Properties

Compound Name4-(2-bromoanilino)-1-ethylazepane-4-carboxamide
PubChem CID65076343
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name4-(2-bromoanilino)-1-ethylazepane-4-carboxamide
SMILESCCN1CCCC(Nc2ccccc2Br)(C(N)=O)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-19-10-5-8-15(9-11-19,14(17)20)18-13-7-4-3-6-12(13)16/h3-4,6-7,18H,2,5,8-11H2,1H3,(H2,17,20)
InChIKeyPAVMTJZXFIJXCJ-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
CID 54892029
4-(2-bromoanilino)-1-ethylazepane-4-carboxylic acid
CID 65075905
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
1-ethyl-4-(3-fluoro-5-methylanilino)azepane-4-carboxamide
CID 79044709
8-(2-bromoanilino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 61006229
1-(2-bromoanilino)-4-methoxycyclohexane-1-carboxamide
CID 113414494
ethyl 3-(2-bromoanilino)thiane-3-carboxylate
CID 62873122
3-(2-bromoanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166117
ethyl 4-(2-bromoanilino)oxepane-4-carboxylate
CID 65079402
ethyl 3-(2-bromoanilino)-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976964

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide?
The IUPAC name of 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide (CID 65076343) is 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide.
What is the SMILES notation for 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide?
The canonical SMILES for 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide is CCN1CCCC(Nc2ccccc2Br)(C(N)=O)CC1.
What is the InChIKey of 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide?
The InChIKey is PAVMTJZXFIJXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-19-10-5-8-15(9-11-19,14(17)20)18-13-7-4-3-6-12(13)16/h3-4,6-7,18H,2,5,8-11H2,1H3,(H2,17,20).
What are the key properties of 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide?
4-(2-bromoanilino)-1-ethylazepane-4-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)-1-ethylazepane-4-carboxamide is sourced from PubChem (CID 65076343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).