[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid

C19H21FN2O2 — CID 121411225

IUPAC[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid
SMILESCc1ccc(N(C[C@@H]2CCNC2)C(=O)O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O2/c1-13-5-6-18(17(9-13)15-3-2-4-16(20)10-15)22(19(23)24)12-14-7-8-21-11-14/h2-6,9-10,14,21H,7-8,11-12H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyQWJDCKHMXUKOJP-CQSZACIVSA-N
MW328.39 g/mol
LogP3.90
Rot. Bonds4

About [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid

[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid (PubChem CID 121411225) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid
PubChem CID121411225
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid
SMILESCc1ccc(N(C[C@@H]2CCNC2)C(=O)O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O2/c1-13-5-6-18(17(9-13)15-3-2-4-16(20)10-15)22(19(23)24)12-14-7-8-21-11-14/h2-6,9-10,14,21H,7-8,11-12H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyQWJDCKHMXUKOJP-CQSZACIVSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid?
The IUPAC name of [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid (CID 121411225) is [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid?
The canonical SMILES for [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid is Cc1ccc(N(C[C@@H]2CCNC2)C(=O)O)c(-c2cccc(F)c2)c1.
What is the InChIKey of [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid?
The InChIKey is QWJDCKHMXUKOJP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-5-6-18(17(9-13)15-3-2-4-16(20)10-15)22(19(23)24)12-14-7-8-21-11-14/h2-6,9-10,14,21H,7-8,11-12H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid?
[2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid has a molecular weight of 328.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methylphenyl]-[[(3R)-pyrrolidin-3-yl]methyl]carbamic acid is sourced from PubChem (CID 121411225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).