(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C18H18FN5O — CID 95773877

IUPAC(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESC[C@H](Cc1ccccc1F)C(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H18FN5O/c1-12(10-15-4-2-3-5-16(15)19)18(25)20-11-13-6-8-14(9-7-13)17-21-23-24-22-17/h2-9,12H,10-11H2,1H3,(H,20,25)(H,21,22,23,24)/t12-/m1/s1
InChIKeyTXRQHSCMOJDRSB-GFCCVEGCSA-N
MW339.37 g/mol
LogP2.50
Rot. Bonds6

About (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 95773877) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID95773877
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESC[C@H](Cc1ccccc1F)C(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H18FN5O/c1-12(10-15-4-2-3-5-16(15)19)18(25)20-11-13-6-8-14(9-7-13)17-21-23-24-22-17/h2-9,12H,10-11H2,1H3,(H,20,25)(H,21,22,23,24)/t12-/m1/s1
InChIKeyTXRQHSCMOJDRSB-GFCCVEGCSA-N
XLogP2.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 75423019
5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58128939
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
2-benzyl-3-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119234004
2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 139307179

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 95773877) is (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is C[C@H](Cc1ccccc1F)C(=O)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is TXRQHSCMOJDRSB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12(10-15-4-2-3-5-16(15)19)18(25)20-11-13-6-8-14(9-7-13)17-21-23-24-22-17/h2-9,12H,10-11H2,1H3,(H,20,25)(H,21,22,23,24)/t12-/m1/s1.
What are the key properties of (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 339.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 95773877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).