2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide

C13H18ClN3O — CID 63888825

IUPAC2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide
SMILESNCC1(Nc2cccc(Cl)c2C(N)=O)CCCC1
InChIInChI=1S/C13H18ClN3O/c14-9-4-3-5-10(11(9)12(16)18)17-13(8-15)6-1-2-7-13/h3-5,17H,1-2,6-8,15H2,(H2,16,18)
InChIKeyMILUVQHBCISHDX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.12
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide

2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide (PubChem CID 63888825) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide
PubChem CID63888825
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide
SMILESNCC1(Nc2cccc(Cl)c2C(N)=O)CCCC1
InChIInChI=1S/C13H18ClN3O/c14-9-4-3-5-10(11(9)12(16)18)17-13(8-15)6-1-2-7-13/h3-5,17H,1-2,6-8,15H2,(H2,16,18)
InChIKeyMILUVQHBCISHDX-UHFFFAOYSA-N
XLogP2.12
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide (CID 63888825) is 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide is NCC1(Nc2cccc(Cl)c2C(N)=O)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide?
The InChIKey is MILUVQHBCISHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-9-4-3-5-10(11(9)12(16)18)17-13(8-15)6-1-2-7-13/h3-5,17H,1-2,6-8,15H2,(H2,16,18).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide?
2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]amino]-6-chlorobenzamide is sourced from PubChem (CID 63888825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).