N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide

C22H26FNO3 — CID 112816253

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccc(F)c2)C2CC2)ccc1OCC(C)C
InChIInChI=1S/C22H26FNO3/c1-15(2)14-27-20-10-7-17(12-21(20)26-3)22(25)24(19-8-9-19)13-16-5-4-6-18(23)11-16/h4-7,10-12,15,19H,8-9,13-14H2,1-3H3
InChIKeyCUGQBKSFXBWPDQ-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.67
Rot. Bonds8

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 112816253) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID112816253
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccc(F)c2)C2CC2)ccc1OCC(C)C
InChIInChI=1S/C22H26FNO3/c1-15(2)14-27-20-10-7-17(12-21(20)26-3)22(25)24(19-8-9-19)13-16-5-4-6-18(23)11-16/h4-7,10-12,15,19H,8-9,13-14H2,1-3H3
InChIKeyCUGQBKSFXBWPDQ-UHFFFAOYSA-N
XLogP4.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 40871148
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide (CID 112816253) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)N(Cc2cccc(F)c2)C2CC2)ccc1OCC(C)C.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is CUGQBKSFXBWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-15(2)14-27-20-10-7-17(12-21(20)26-3)22(25)24(19-8-9-19)13-16-5-4-6-18(23)11-16/h4-7,10-12,15,19H,8-9,13-14H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 371.45 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 112816253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).