2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide

C13H20ClN3O — CID 63887425

IUPAC2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide
SMILESCCC(CC)(CN)Nc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O/c1-3-13(4-2,8-15)17-11-6-5-9(14)7-10(11)12(16)18/h5-7,17H,3-4,8,15H2,1-2H3,(H2,16,18)
InChIKeyDIWCHNVZFNWIKH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide

2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide (PubChem CID 63887425) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide
PubChem CID63887425
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide
SMILESCCC(CC)(CN)Nc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O/c1-3-13(4-2,8-15)17-11-6-5-9(14)7-10(11)12(16)18/h5-7,17H,3-4,8,15H2,1-2H3,(H2,16,18)
InChIKeyDIWCHNVZFNWIKH-UHFFFAOYSA-N
XLogP2.37
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pentan-3-ylamino]benzamide
CID 63886829
5-chloro-2-(3-ethylpentan-3-ylamino)benzoic acid
CID 65041198
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891
2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
CID 114384429
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
CID 63886993
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 47409666
3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779
3-amino-4-(3-ethylpentan-3-ylamino)benzamide
CID 65039779
5-chloro-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168610806
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109
5-chloro-2-(2,3-dihydroxypropylamino)benzamide
CID 168593745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide (CID 63887425) is 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide is CCC(CC)(CN)Nc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide?
The InChIKey is DIWCHNVZFNWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-13(4-2,8-15)17-11-6-5-9(14)7-10(11)12(16)18/h5-7,17H,3-4,8,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide?
2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide has a molecular weight of 269.78 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide is sourced from PubChem (CID 63887425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).