1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide

C20H25BrN2O — CID 46943600

IUPAC1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide
SMILESCCNC(=O)C1CCCN(Cc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C20H25BrN2O/c1-2-22-20(24)16-7-5-12-23(13-11-16)14-17-10-9-15-6-3-4-8-18(15)19(17)21/h3-4,6,8-10,16H,2,5,7,11-14H2,1H3,(H,22,24)
InChIKeyWBFUAQYTXZSRJY-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.34
Rot. Bonds4

About 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide

1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide (PubChem CID 46943600) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide.

Molecular Properties

Compound Name1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide
PubChem CID46943600
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide
SMILESCCNC(=O)C1CCCN(Cc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C20H25BrN2O/c1-2-22-20(24)16-7-5-12-23(13-11-16)14-17-10-9-15-6-3-4-8-18(15)19(17)21/h3-4,6,8-10,16H,2,5,7,11-14H2,1H3,(H,22,24)
InChIKeyWBFUAQYTXZSRJY-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
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1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
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1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
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CID 51362423
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
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(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
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N-[2-[[N-ethyl-N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927610
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide?
The IUPAC name of 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide (CID 46943600) is 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide.
What is the SMILES notation for 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide?
The canonical SMILES for 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide is CCNC(=O)C1CCCN(Cc2ccc3ccccc3c2Br)CC1.
What is the InChIKey of 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide?
The InChIKey is WBFUAQYTXZSRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-2-22-20(24)16-7-5-12-23(13-11-16)14-17-10-9-15-6-3-4-8-18(15)19(17)21/h3-4,6,8-10,16H,2,5,7,11-14H2,1H3,(H,22,24).
What are the key properties of 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide?
1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide has a molecular weight of 389.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-bromonaphthalen-2-yl)methyl]-N-ethylazepane-4-carboxamide is sourced from PubChem (CID 46943600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).