N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

C23H29FN2O4 — CID 4552747

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cccc(CN(CCCN2CCOCC2)C(=O)c2ccccc2F)c1OC
InChIInChI=1S/C23H29FN2O4/c1-28-21-10-5-7-18(22(21)29-2)17-26(12-6-11-25-13-15-30-16-14-25)23(27)19-8-3-4-9-20(19)24/h3-5,7-10H,6,11-17H2,1-2H3
InChIKeyJTNRNEAGHAVQHM-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.21
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4552747) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID4552747
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cccc(CN(CCCN2CCOCC2)C(=O)c2ccccc2F)c1OC
InChIInChI=1S/C23H29FN2O4/c1-28-21-10-5-7-18(22(21)29-2)17-26(12-6-11-25-13-15-30-16-14-25)23(27)19-8-3-4-9-20(19)24/h3-5,7-10H,6,11-17H2,1-2H3
InChIKeyJTNRNEAGHAVQHM-UHFFFAOYSA-N
XLogP3.21
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-morpholin-4-ylpropyl)-N-(naphthalen-1-ylmethyl)benzamide
CID 3818075
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CID 1172776
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50819060
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-5-nitro-1,2,4-triazol-3-amine
CID 3839973
1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4622864
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870456

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (CID 4552747) is N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is COc1cccc(CN(CCCN2CCOCC2)C(=O)c2ccccc2F)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is JTNRNEAGHAVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-28-21-10-5-7-18(22(21)29-2)17-26(12-6-11-25-13-15-30-16-14-25)23(27)19-8-3-4-9-20(19)24/h3-5,7-10H,6,11-17H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 416.49 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4552747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).