N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide

C12H17FN2O — CID 63209165

IUPACN-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCCN)ccc1F
InChIInChI=1S/C12H17FN2O/c1-9-8-10(4-5-11(9)13)12(16)15(2)7-3-6-14/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyCVDRVVRGAVQMTP-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.55
Rot. Bonds4

About N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide

N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide (PubChem CID 63209165) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
PubChem CID63209165
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCCN)ccc1F
InChIInChI=1S/C12H17FN2O/c1-9-8-10(4-5-11(9)13)12(16)15(2)7-3-6-14/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyCVDRVVRGAVQMTP-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide
CID 83969270
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide (CID 63209165) is N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)CCCN)ccc1F.
What is the InChIKey of N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide?
The InChIKey is CVDRVVRGAVQMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-8-10(4-5-11(9)13)12(16)15(2)7-3-6-14/h4-5,8H,3,6-7,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide?
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide has a molecular weight of 224.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 63209165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).