4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide

C16H23ClN2O2 — CID 102668869

IUPAC4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(COCC2(N)CCCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c17-14-9-12(15(18)20)5-6-13(14)10-21-11-16(19)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11,19H2,(H2,18,20)
InChIKeyQZIUDCQALBHDLT-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.01
Rot. Bonds5

About 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide

4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide (PubChem CID 102668869) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide
PubChem CID102668869
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(COCC2(N)CCCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c17-14-9-12(15(18)20)5-6-13(14)10-21-11-16(19)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11,19H2,(H2,18,20)
InChIKeyQZIUDCQALBHDLT-UHFFFAOYSA-N
XLogP3.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-carbamoyl-2-chlorobenzoate
CID 53785786
5-Chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide
CID 123239439
3-Chloro-4-[fluoro(methoxy)methyl]benzamide
CID 123798164
Ethyl 4-[2-(2-aminobutan-2-yl)-3-chlorophenyl]benzoate
CID 138970821
4-[(1-Aminocycloheptyl)methoxymethyl]-3-fluorobenzamide
CID 64550881
Methyl 4-(1-aminoethyl)-3-chlorobenzoate
CID 68728551
[(1S)-1-[4-(1-aminocyclopropyl)-2-chlorophenyl]ethyl] benzoate
CID 86619954
Butyl 4-(aminomethyl)-3-chlorobenzoate
CID 90906205
methyl 4-[(1R)-1-aminoethyl]-3-chlorobenzoate
CID 129386866
Ethyl 4-(3-aminooxetan-3-yl)-3-chlorobenzoate
CID 130418043
Methyl 4-(3-aminotetrahydrofuran-3-yl)-3-chlorobenzoate
CID 130418091
Methyl 4-(1-aminocyclopropyl)-3-chlorobenzoate
CID 131502082

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide (CID 102668869) is 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide is NC(=O)c1ccc(COCC2(N)CCCCCC2)c(Cl)c1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide?
The InChIKey is QZIUDCQALBHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-14-9-12(15(18)20)5-6-13(14)10-21-11-16(19)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11,19H2,(H2,18,20).
What are the key properties of 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide?
4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide has a molecular weight of 310.82 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide is sourced from PubChem (CID 102668869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).