N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide

C15H16FNO2 — CID 115532616

IUPACN-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H16FNO2/c1-3-8-17(10-11-4-5-11)15(18)12-6-7-14(19-2)13(16)9-12/h1,6-7,9,11H,4-5,8,10H2,2H3
InChIKeyJVKXAPOMVVPVHV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds5

About N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide

N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide (PubChem CID 115532616) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
PubChem CID115532616
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H16FNO2/c1-3-8-17(10-11-4-5-11)15(18)12-6-7-14(19-2)13(16)9-12/h1,6-7,9,11H,4-5,8,10H2,2H3
InChIKeyJVKXAPOMVVPVHV-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-propyl-N-prop-2-ynylbenzamide
CID 78970638
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
3-bromo-N-(cyclopropylmethyl)-4-methyl-N-prop-2-ynylbenzamide
CID 113330065
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide
CID 113330071
N-(cyclopropylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999288
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
CID 115532759
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide (CID 115532616) is N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide is C#CCN(CC1CC1)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide?
The InChIKey is JVKXAPOMVVPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-3-8-17(10-11-4-5-11)15(18)12-6-7-14(19-2)13(16)9-12/h1,6-7,9,11H,4-5,8,10H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide?
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide has a molecular weight of 261.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 115532616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).