4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide

C13H17FN2O — CID 63956728

IUPAC4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyBWYKICYTWKSQQX-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide

4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide (PubChem CID 63956728) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
PubChem CID63956728
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyBWYKICYTWKSQQX-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
N-(cyclopropylmethyl)-N-ethyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382644

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide (CID 63956728) is 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide is CCN(CC1CC1)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide?
The InChIKey is BWYKICYTWKSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,2-4,8,15H2,1H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide?
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide is sourced from PubChem (CID 63956728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).