3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C13H16ClNO3 — CID 7426624

IUPAC3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-12-5-4-9(7-11(12)14)13(16)15-8-10-3-2-6-18-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyBIJYUOCPEKINKG-JTQLQIEISA-N
MW269.73 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 7426624) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID7426624
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-12-5-4-9(7-11(12)14)13(16)15-8-10-3-2-6-18-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyBIJYUOCPEKINKG-JTQLQIEISA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105580
1-(3-chloro-4-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 19677559
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 8900388
3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 154921066
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 7426624) is 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is BIJYUOCPEKINKG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-17-12-5-4-9(7-11(12)14)13(16)15-8-10-3-2-6-18-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7426624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).