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

C14H19FN2O — CID 55001664

IUPAC5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9(2)17(8-10-3-4-10)14(18)12-7-11(16)5-6-13(12)15/h5-7,9-10H,3-4,8,16H2,1-2H3
InChIKeyVXMKVVFQHZARQM-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.67
Rot. Bonds4

About 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide

5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 55001664) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
PubChem CID55001664
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9(2)17(8-10-3-4-10)14(18)12-7-11(16)5-6-13(12)15/h5-7,9-10H,3-4,8,16H2,1-2H3
InChIKeyVXMKVVFQHZARQM-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

3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
CID 62662646
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide (CID 55001664) is 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is VXMKVVFQHZARQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)17(8-10-3-4-10)14(18)12-7-11(16)5-6-13(12)15/h5-7,9-10H,3-4,8,16H2,1-2H3.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide?
5-amino-N-(cyclopropylmethyl)-2-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 5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 55001664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).