N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide

C21H21FN2O2 — CID 44578566

IUPACN-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide
SMILESO=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2F)cc1
InChIInChI=1S/C21H21FN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26)
InChIKeyCCZQCOZJIRYKNS-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.52
Rot. Bonds6

About N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide

N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide (PubChem CID 44578566) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide
PubChem CID44578566
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide
SMILESO=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2F)cc1
InChIInChI=1S/C21H21FN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26)
InChIKeyCCZQCOZJIRYKNS-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide (CID 44578566) is N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide is O=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2F)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide?
The InChIKey is CCZQCOZJIRYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26).
What are the key properties of N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide?
N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide has a molecular weight of 352.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 44578566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).