4-chloro-3-(1-methoxypropan-2-ylamino)benzamide

C11H15ClN2O2 — CID 62536792

IUPAC4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
SMILESCOCC(C)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(6-16-2)14-10-5-8(11(13)15)3-4-9(10)12/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyMRBVFPJUGOLWGG-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.89
Rot. Bonds5

About 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide

4-chloro-3-(1-methoxypropan-2-ylamino)benzamide (PubChem CID 62536792) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
PubChem CID62536792
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
SMILESCOCC(C)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(6-16-2)14-10-5-8(11(13)15)3-4-9(10)12/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyMRBVFPJUGOLWGG-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(3-methoxybutan-2-ylamino)benzamide
CID 113481639
2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
CID 81078412
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-chlorobenzamide
CID 61174061
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
methyl 4-(1-methoxypropan-2-ylamino)-3-methylbenzoate
CID 62535082
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide
CID 65225825
methyl 4-chloro-3-(nonan-2-ylamino)benzoate
CID 43714755
4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
CID 43679591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide?
The IUPAC name of 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide (CID 62536792) is 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide?
The canonical SMILES for 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide is COCC(C)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide?
The InChIKey is MRBVFPJUGOLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(6-16-2)14-10-5-8(11(13)15)3-4-9(10)12/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide?
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide has a molecular weight of 242.71 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-methoxypropan-2-ylamino)benzamide is sourced from PubChem (CID 62536792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).