(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone

C15H19BrClNO — CID 113441714

IUPAC(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H19BrClNO/c1-2-12-6-4-3-5-9-18(12)15(19)13-10-11(16)7-8-14(13)17/h7-8,10,12H,2-6,9H2,1H3
InChIKeyUUIZFHPCXKHNHM-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.90
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone

(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone (PubChem CID 113441714) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
PubChem CID113441714
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H19BrClNO/c1-2-12-6-4-3-5-9-18(12)15(19)13-10-11(16)7-8-14(13)17/h7-8,10,12H,2-6,9H2,1H3
InChIKeyUUIZFHPCXKHNHM-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone (CID 113441714) is (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone?
The InChIKey is UUIZFHPCXKHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-2-12-6-4-3-5-9-18(12)15(19)13-10-11(16)7-8-14(13)17/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone has a molecular weight of 344.68 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 113441714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).