3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide

C14H21ClN2O2 — CID 110762419

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCN(C)C)cc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(2)19-13-6-5-11(9-12(13)15)14(18)16-7-8-17(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)
InChIKeyGTRDAYJCGSXVJZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.42
Rot. Bonds6

About 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide

3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 110762419) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
PubChem CID110762419
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCN(C)C)cc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(2)19-13-6-5-11(9-12(13)15)14(18)16-7-8-17(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)
InChIKeyGTRDAYJCGSXVJZ-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
CID 143134875
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]oxybenzamide
CID 72881505
acetonitrile;2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]acetic acid;ethane
CID 143134888
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-methylbutanoyl)piperidin-4-yl]oxybenzamide
CID 45219247
3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053219
3-chloro-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 118722742
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-3-methyl-4-propan-2-yloxybenzamide
CID 143134984
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 110762427
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25365647

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide (CID 110762419) is 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCN(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is GTRDAYJCGSXVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(2)19-13-6-5-11(9-12(13)15)14(18)16-7-8-17(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide?
3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 110762419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).