N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide

C20H22FNO2 — CID 55772522

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C20H22FNO2/c1-2-12-24-18-8-5-7-15(13-18)20(23)22(17-10-11-17)14-16-6-3-4-9-19(16)21/h3-9,13,17H,2,10-12,14H2,1H3
InChIKeyIVXNVXXSDMPLPY-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.42
Rot. Bonds7

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide (PubChem CID 55772522) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
PubChem CID55772522
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C20H22FNO2/c1-2-12-24-18-8-5-7-15(13-18)20(23)22(17-10-11-17)14-16-6-3-4-9-19(16)21/h3-9,13,17H,2,10-12,14H2,1H3
InChIKeyIVXNVXXSDMPLPY-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(naphthalen-1-ylmethyl)-3-propoxybenzamide
CID 40851271
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide
CID 40643575
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxybenzamide
CID 7123222
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-propoxybenzamide
CID 18818145
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-3-propoxybenzamide
CID 7499592
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
CID 55770837
4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545378

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide (CID 55772522) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide?
The InChIKey is IVXNVXXSDMPLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-12-24-18-8-5-7-15(13-18)20(23)22(17-10-11-17)14-16-6-3-4-9-19(16)21/h3-9,13,17H,2,10-12,14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide has a molecular weight of 327.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide is sourced from PubChem (CID 55772522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).