N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

C19H20FN3O — CID 165118667

IUPACN-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESNCc1ccc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2)cc1
InChIInChI=1S/C19H20FN3O/c20-18-11-15(3-6-17(18)14-7-9-22-10-8-14)19(24)23-16-4-1-13(12-21)2-5-16/h1-7,11,22H,8-10,12,21H2,(H,23,24)
InChIKeyCZHQKEKHAPMWMS-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.91
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 165118667) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID165118667
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESNCc1ccc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2)cc1
InChIInChI=1S/C19H20FN3O/c20-18-11-15(3-6-17(18)14-7-9-22-10-8-14)19(24)23-16-4-1-13(12-21)2-5-16/h1-7,11,22H,8-10,12,21H2,(H,23,24)
InChIKeyCZHQKEKHAPMWMS-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118625
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide
CID 165118845
1-N-[4-(aminomethyl)phenyl]-4-N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]benzene-1,4-dicarboxamide
CID 166477004
N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118474
tert-butyl N-[[4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 165118105
ethane;N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118473
N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
CID 165118663
3-fluoro-N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;(Z,3E)-3-hydrazinylideneprop-1-en-1-amine
CID 165118361
N-[3-chloro-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118518
tert-butyl 4-[2-fluoro-4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzoyl]amino]phenyl]piperazine-1-carboxylate
CID 167190429
3-chloro-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769493

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 165118667) is N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is NCc1ccc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is CZHQKEKHAPMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-18-11-15(3-6-17(18)14-7-9-22-10-8-14)19(24)23-16-4-1-13(12-21)2-5-16/h1-7,11,22H,8-10,12,21H2,(H,23,24).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 165118667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).