2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide

C14H19FN2O — CID 62662646

IUPAC2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H19FN2O/c1-9(2)17(8-10-6-7-10)14(18)11-4-3-5-12(15)13(11)16/h3-5,9-10H,6-8,16H2,1-2H3
InChIKeyMOHQKKYGAWBGAQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide

2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 62662646) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
PubChem CID62662646
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H19FN2O/c1-9(2)17(8-10-6-7-10)14(18)11-4-3-5-12(15)13(11)16/h3-5,9-10H,6-8,16H2,1-2H3
InChIKeyMOHQKKYGAWBGAQ-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.67
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

5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
3-amino-N-(cyclopropylmethyl)-4-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 79517007
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 55000146

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide (CID 62662646) is 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is MOHQKKYGAWBGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)17(8-10-6-7-10)14(18)11-4-3-5-12(15)13(11)16/h3-5,9-10H,6-8,16H2,1-2H3.
What are the key properties of 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide?
2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 62662646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).