N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide

C13H17FN2O — CID 63767461

IUPACN-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(N)C2CC2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-6-10(4-5-11(8)14)13(17)16-7-12(15)9-2-3-9/h4-6,9,12H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyOWFMYMTXZPTHGK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.60
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide

N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide (PubChem CID 63767461) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
PubChem CID63767461
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(N)C2CC2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-6-10(4-5-11(8)14)13(17)16-7-12(15)9-2-3-9/h4-6,9,12H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyOWFMYMTXZPTHGK-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 124550256
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
CID 113266416
N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
CID 113282155
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide (CID 63767461) is N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC(N)C2CC2)ccc1F.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide?
The InChIKey is OWFMYMTXZPTHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-6-10(4-5-11(8)14)13(17)16-7-12(15)9-2-3-9/h4-6,9,12H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide?
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63767461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).