N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide

C17H23FN2O — CID 71883605

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide
SMILESCC(C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1
InChIInChI=1S/C17H23FN2O/c1-11(12-4-5-12)20(14-7-8-14)17(21)13-6-9-16(19(2)3)15(18)10-13/h6,9-12,14H,4-5,7-8H2,1-3H3
InChIKeyQRCNUSHNOWYVRF-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.29
Rot. Bonds5

About N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide

N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide (PubChem CID 71883605) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide
PubChem CID71883605
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide
SMILESCC(C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1
InChIInChI=1S/C17H23FN2O/c1-11(12-4-5-12)20(14-7-8-14)17(21)13-6-9-16(19(2)3)15(18)10-13/h6,9-12,14H,4-5,7-8H2,1-3H3
InChIKeyQRCNUSHNOWYVRF-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide (CID 71883605) is N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide is CC(C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide?
The InChIKey is QRCNUSHNOWYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11(12-4-5-12)20(14-7-8-14)17(21)13-6-9-16(19(2)3)15(18)10-13/h6,9-12,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide has a molecular weight of 290.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide is sourced from PubChem (CID 71883605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).