N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide

C14H18FNO2 — CID 104916648

IUPACN-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C14H18FNO2/c1-2-8-16(9-10-6-7-10)14(18)13-11(15)4-3-5-12(13)17/h3-5,10,17H,2,6-9H2,1H3
InChIKeyYDFWXPGBDSLWDT-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.79
Rot. Bonds5

About N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide

N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide (PubChem CID 104916648) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
PubChem CID104916648
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C14H18FNO2/c1-2-8-16(9-10-6-7-10)14(18)13-11(15)4-3-5-12(13)17/h3-5,10,17H,2,6-9H2,1H3
InChIKeyYDFWXPGBDSLWDT-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 104917550
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide (CID 104916648) is N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide?
The InChIKey is YDFWXPGBDSLWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-8-16(9-10-6-7-10)14(18)13-11(15)4-3-5-12(13)17/h3-5,10,17H,2,6-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide?
N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide is sourced from PubChem (CID 104916648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).