4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide

C17H27ClN4O2 — CID 10405900

IUPAC4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide
SMILESCCCOc1cc(N)c(Cl)cc1C(=O)NC1CN(C)CCN(C)C1
InChIInChI=1S/C17H27ClN4O2/c1-4-7-24-16-9-15(19)14(18)8-13(16)17(23)20-12-10-21(2)5-6-22(3)11-12/h8-9,12H,4-7,10-11,19H2,1-3H3,(H,20,23)
InChIKeyHUEWKMCWSWGSEF-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.69
Rot. Bonds5

About 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide

4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide (PubChem CID 10405900) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide
PubChem CID10405900
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide
SMILESCCCOc1cc(N)c(Cl)cc1C(=O)NC1CN(C)CCN(C)C1
InChIInChI=1S/C17H27ClN4O2/c1-4-7-24-16-9-15(19)14(18)8-13(16)17(23)20-12-10-21(2)5-6-22(3)11-12/h8-9,12H,4-7,10-11,19H2,1-3H3,(H,20,23)
InChIKeyHUEWKMCWSWGSEF-UHFFFAOYSA-N
XLogP1.69
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pent-3-ynoxybenzamide
CID 19048279
4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
CID 13121444
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
CID 19081864
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-5-chloro-2-ethoxybenzamide
CID 10093394
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
4-acetamido-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxybenzamide
CID 10004356
methyl 5-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]hexanoate
CID 142628583
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786696
4-amino-5-chloro-N-[1-[(2,3-dihydroxyphenyl)methyl]piperidin-4-yl]-2-(2-hydroxyethoxy)benzamide
CID 10274672

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide (CID 10405900) is 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide is CCCOc1cc(N)c(Cl)cc1C(=O)NC1CN(C)CCN(C)C1.
What is the InChIKey of 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide?
The InChIKey is HUEWKMCWSWGSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-4-7-24-16-9-15(19)14(18)8-13(16)17(23)20-12-10-21(2)5-6-22(3)11-12/h8-9,12H,4-7,10-11,19H2,1-3H3,(H,20,23).
What are the key properties of 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide?
4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide has a molecular weight of 354.88 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide is sourced from PubChem (CID 10405900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).