1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide

C15H20Cl2N2O — CID 115443708

IUPAC1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCCCC1
InChIInChI=1S/C15H20Cl2N2O/c16-11-5-6-12(17)13(9-11)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H,19,20)
InChIKeyBQZATEXZQRRCCB-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.23
Rot. Bonds3

About 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide (PubChem CID 115443708) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
PubChem CID115443708
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCCCC1
InChIInChI=1S/C15H20Cl2N2O/c16-11-5-6-12(17)13(9-11)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H,19,20)
InChIKeyBQZATEXZQRRCCB-UHFFFAOYSA-N
XLogP4.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide (CID 115443708) is 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide is NCC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide?
The InChIKey is BQZATEXZQRRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-11-5-6-12(17)13(9-11)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 115443708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).