2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide

C16H17ClN2O4 — CID 167977484

IUPAC2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(=O)NCc2ccco2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O4/c1-10(15(20)18-9-12-4-3-7-23-12)19-16(21)13-6-5-11(22-2)8-14(13)17/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLBKWSQWLHQAEIG-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.38
Rot. Bonds6

About 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide

2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide (PubChem CID 167977484) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
PubChem CID167977484
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(=O)NCc2ccco2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O4/c1-10(15(20)18-9-12-4-3-7-23-12)19-16(21)13-6-5-11(22-2)8-14(13)17/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLBKWSQWLHQAEIG-UHFFFAOYSA-N
XLogP2.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-methylbenzamide
CID 97329400
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60597223
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide?
The IUPAC name of 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide (CID 167977484) is 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C(=O)NCc2ccco2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide?
The InChIKey is LBKWSQWLHQAEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-10(15(20)18-9-12-4-3-7-23-12)19-16(21)13-6-5-11(22-2)8-14(13)17/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide?
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide has a molecular weight of 336.78 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 167977484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).