N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide

C14H21ClN2O2 — CID 63886993

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
SMILESCCC(CC)(CN)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-14(5-2,9-16)17-13(18)11-8-10(15)6-7-12(11)19-3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyGFVRDLLPXXWMIG-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.60
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide

N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide (PubChem CID 63886993) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
PubChem CID63886993
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
SMILESCCC(CC)(CN)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-14(5-2,9-16)17-13(18)11-8-10(15)6-7-12(11)19-3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyGFVRDLLPXXWMIG-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(chloromethyl)pentan-3-yl]-2-methoxybenzamide
CID 114304627
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891
4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
CID 62522464
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxybenzamide
CID 107867430
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-2-methoxybenzamide
CID 107867840
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119571870
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 113434986
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide (CID 63886993) is N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide is CCC(CC)(CN)NC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide?
The InChIKey is GFVRDLLPXXWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-14(5-2,9-16)17-13(18)11-8-10(15)6-7-12(11)19-3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide?
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 63886993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).